SCHEMBL13119451

SCHEMBL13119451

COc1ccccc1C(=O)NCc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.65
▸ GSK3B P49841 7/20 0.60
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ CCNE1 P24864 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
SCHEMBL13119330 0.95 CDK2 (0.61) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13119457 0.91 CDK2 (0.73) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119513 0.91 CDK2 (0.63) CDK2GSK3BHPGDCCNA2CCNA1
SCHEMBL13288648 0.90 CDK2 (0.51) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13120243 0.89 GSK3B (0.57) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13119634 0.88 CDK2 (0.58) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13119500 0.88 CDK2 (0.69) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119477 0.88 CDK2 (0.69) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13121604 0.88 CDK2 (0.64) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13120028 0.88 GSK3B (0.55) CDK2GSK3BMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
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