SCHEMBL7122823

SCHEMBL7122823

Cc1nccn1-c1nc(NCc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.50
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 3/20 0.45
LMNA P02545 3/20 0.45
USP2 O75604 2/20 0.45
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL7127406 0.91 MAPT (0.47) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7128058 0.87 PDE5A (0.57) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5781706 0.87 HTT (0.48) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7125609 0.86 HTT (0.55) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5781127 0.86 MAPT (0.48) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5780791 0.85 HTT (0.48) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5118731 0.84 GAA (0.42) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5117243 0.84 ADORA3 (0.36) KDM4EALDH1A1LMNAGAA
SCHEMBL7129570 0.83 HTT (0.48) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5781601 0.83 HTT (0.45) HTTMAPTSMN1; SMN2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed