SCHEMBL3120702

SCHEMBL3120702

c1ccc2c(c1)[nH]c1c3cccnc3c3cccnc3c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.64
▸ CCND1 P24385 2/20 0.64
▸ GABRA1 P14867 7/20 0.60
▸ GABRG2 P18507 7/20 0.60
▸ GABRB3 P28472 7/20 0.60
▸ GABRA5 P31644 7/20 0.60
▸ GABRA3 P34903 7/20 0.60
▸ GABRA2 P47869 7/20 0.60
▸ PARP1 P09874 3/20 0.57
▸ GABRP O00591 4/20 0.53
▸ GABRD O14764 4/20 0.53
▸ GABRB1 P18505 4/20 0.53
▸ GABRB2 P47870 4/20 0.53
▸ GABRA4 P48169 4/20 0.53
▸ GABRE P78334 4/20 0.53
▸ GABRA6 Q16445 4/20 0.53
▸ GABRG1 Q8N1C3 4/20 0.53
▸ GABRG3 Q99928 4/20 0.53
▸ GABRQ Q9UN88 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29546163 1.00 CDK4 (0.64) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL16547003 0.91 CDK4 (0.62) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL28846510 0.91 GABRA1 (0.59) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL30805677 0.91 GABRA1 (0.59) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL18042294 0.89 GABRA1 (0.60) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL19988704 0.84 GABRA1 (0.63) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL30166687 0.81 CDK4 (0.56) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL13556881 0.80 GABRA1 (0.58) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL19988566 0.78 MAP3K11 (0.53) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL23099057 0.76 KIF11 (0.56) CDK4CCND1GABRA1GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757559-A4 COMPOSITION FOR DELIVERY OF TOXIC RADIOISOTOPES TO THE CELL NUCLEUS AND USE MOLECULAR MEDICINE CENTER (US) 1999-06-23 — — EP claimed
EP-0757559-A1 COMPOSITION FOR DELIVERY OF TOXIC RADIOISOTOPES TO THE CELL NUCLEUS AND USE CENTER FOR MOLECULAR MEDICINE AND IMMUNOLOGY (US) 1997-02-12 — — EP claimed
WO-1995029707-A1 COMPOSITION FOR DELIVERY OF TOXIC RADIOISOTOPES TO THE CELL NUCLEUS AND USE CENTER FOR MOLECULAR MEDICINE AND IMMUNOLOGY (US) 1995-11-09 — — WO claimed
US-20190011433-A1 CELL CO-CULTURE SYSTEMS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2019-01-10 — — US disclosed
US-20130274142-A1 Cell Co-Culture Systems and Uses Thereof DANA-FARBER CANCER INSTITUTE, INC. 2013-10-17 — — US disclosed
US-8080531-B2 Methods for modulating checkpoint activation through TopBP1 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-12-20 — — US disclosed
US-20100255999-A1 Cell Co-Culture Systems and Uses Thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2010-10-07 — — US disclosed
EP-2115456-A2 CELL CO-CULTURE SYSTEMS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2009-11-11 — — EP disclosed
US-20090098111-A1 Methods for modulating checkpoint activation through TopBP1 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-04-16 — — US disclosed
WO-2008095165-A2 CELL CO-CULTURE SYSTEMS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2008-08-07 — — WO disclosed
US-20080119685-A1 Methods for modulating checkpoint activation through TopBP1 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-22 — — US disclosed
US-20050227266-A1 Biomarker:compound correlations in cancer diagnosis and therapy APPLIED GENOMICS, INC. 2005-10-13 — — US disclosed
EP-0882037-B1 ARTEMISININ DIMER COMPOUNDS HAVING ANTICANCER ACTIVITY HAUSER CHEMICAL RES INC (US) 2001-09-12 — — EP disclosed
US-6057348-A INHIBITOR OF CELL GROWTH AND MITOSIS OREGON STATE UNIVERSITY (US) 2000-05-02 — — US disclosed
EP-0882037-A4 ARTEMISININ DIMER COMPOUNDS HAVING ANTICANCER ACTIVITY HAUSER CHEMICAL RES INC (US) 2000-01-19 — — EP disclosed
US-5856351-A Artemisinin dimer compounds having anticancer activity WELLS FARGO BANK, N.A. 1999-01-05 — — US disclosed
EP-0882037-A1 ARTEMISININ DIMER COMPOUNDS HAVING ANTICANCER ACTIVITY HAUSER CHEMICAL RESEARCH, INC. (US) 1998-12-09 — — EP disclosed
US-5677468-A Artemisinin dimer compounds having anticancer activity HAUSER, INC. (US) 1997-10-14 — — US disclosed
WO-1997001548-A1 ARTEMISININ DIMER COMPOUNDS HAVING ANTICANCER ACTIVITY HAUSER CHEMICAL RESEARCH, INC. (US) 1997-01-16 — — WO disclosed
WO-1995009630-A1 COMPOUNDS EXHIBITING ANTIPROLIFERATIVE ACTIVITY AGAINST CELLS THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1995-04-13 — — WO disclosed
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