SCHEMBL3421971

SCHEMBL3421971

ONc1ncc2[nH]cnc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.58
PAK1 Q13153 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CDK1 P06493 3/20 0.49
CCNT1 O60563 1/20 0.49
CCNB1 P14635 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
POLA1 P09884 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAP3K7 O43318 1/20 0.37
MAP3K6 O95382 1/20 0.37
MAP3K5 Q99683 1/20 0.37
NLRP3 Q96P20 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5072707 0.81 CDK2 (0.58) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL9356697 0.81 CDK2 (0.58) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL5828213 0.81 CDK2 (0.58) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL30151962 0.79 CDK2 (0.56) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL4511045 0.79 CDK2 (0.53) CDK2PAK1ALDH1A1KDM4ECDK1
Isopropyl Alcohol SCHEMBL10551705 0.78 CDK2 (0.51) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL5196386 0.78 CDK2 (0.51) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL4511042 0.78 CDK2 (0.51) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL6675329 0.78 PAK1 (0.52) CDK2PAK1ALDH1A1KDM4ECDK1
SCHEMBL5436674 0.77 CDK2 (0.54) CDK2PAK1ALDH1A1KDM4ECDK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968444-B2 Methods for generating bispecific functional agents ABZYME THERAPEUTICS LLC (US) 2021-04-06 US claimed
US-20180334666-A1 METHODS FOR GENERATING BISPECIFIC FUNCTIONAL AGENTS ABZYME THERAPEUTICS LLC 2018-11-22 US claimed
US-7790374-B2 Process for sequence saturation mutagenesis (SeSaM) BASF AKTIENGESELLSCHAFT (DE) 2010-09-07 US claimed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP claimed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO claimed
EP-1670914-B1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AG (DE) 2008-01-23 EP claimed
US-20060223148-A1 Process for sequence saturation mutagenesis (sesam) BASF AKTIENGESCHAFT (DE) 2006-10-05 US claimed
EP-1670914-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2006-06-21 EP claimed
EP-1572097-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-09-14 EP claimed
WO-2005035757-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 WO claimed
WO-2004028481-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-04-08 WO claimed
US-11618880-B2 Compositions comprising bacterial strains and use thereof in controlling pathogenic microorganisms BETTER AIR INTERNATIONAL LIMITED (HK) 2023-04-04 US disclosed
US-10968444-B2 Methods for generating bispecific functional agents ABZYME THERAPEUTICS LLC (US) 2021-04-06 US disclosed
EP-3600329-A1 COMPOSITIONS AND METHOD OF TREATING CANCER The Regents of The University of California (US) 2020-02-05 EP disclosed
US-20180334666-A1 METHODS FOR GENERATING BISPECIFIC FUNCTIONAL AGENTS ABZYME THERAPEUTICS LLC 2018-11-22 US disclosed
WO-2001025255-A9 NOVEL ZINC FINGER PROTEIN BAYLOR COLLEGE MEDICINE (US) 2002-09-26 WO disclosed
WO-2001025255-A2 NOVEL ZINC FINGER PROTEIN BAYLOR COLLEGE OF MEDICINE (US) 2001-04-12 WO disclosed
WO-1998001459-A1 NOVEL N-ALKOXYADENINE DERIVATIVES ACTING AS CYTOKINE INHIBITORS NOVO NORDISK A/S (DK) 1998-01-15 WO disclosed
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed