SCHEMBL13119452

SCHEMBL13119452

COc1cccc(C(=O)NCc2ccc(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.63
▸ GSK3B P49841 8/20 0.58
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CCNE1 P24864 2/20 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
SCHEMBL13119331 0.96 CDK2 (0.60) CDK2GSK3BMEN1ALDH1A1KMT2A
SCHEMBL13119551 0.93 CDK2 (0.61) CDK2GSK3BRAB9ASMN1; SMN2MEN1
SCHEMBL13119514 0.92 CDK2 (0.63) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119453 0.92 CDK2 (0.65) CDK2GSK3BRAB9AKMT2ACCNA2
SCHEMBL13119489 0.91 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120244 0.90 GSK3B (0.56) CDK2GSK3BRAB9ASMN1; SMN2MEN1
SCHEMBL13119458 0.90 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119635 0.89 CDK2 (0.57) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13119521 0.89 CDK2 (0.73) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119332 0.89 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback