SCHEMBL13289012

SCHEMBL13289012

O=C(/C=C/c1cccc(Cl)c1)NCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.54
▸ GSK3B P49841 7/20 0.53
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PYGL P06737 1/20 0.38

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
SCHEMBL13120198 0.96 CDK2 (0.54) CDK2GSK3BHPGDALDH1A1NPSR1
SCHEMBL13120239 0.93 CDK2 (0.58) CDK2GSK3BHPGDALDH1A1CCNA2
SCHEMBL13120104 0.90 CDK2 (0.56) CDK2GSK3BHPGDALDH1A1CCNA2
SCHEMBL13119491 0.90 CDK2 (0.63) CDK2GSK3BHPGDALDH1A1NPSR1
SCHEMBL13119382 0.89 CDK2 (0.60) CDK2GSK3BHPGDALDH1A1NPSR1
SCHEMBL13120025 0.88 CDK2 (0.56) CDK2GSK3BHPGDALDH1A1CCNA2
SCHEMBL13120310 0.87 CDK2 (0.53) CDK2GSK3BCCNA2CCNA1
SCHEMBL13288739 0.86 HPGD (0.48) CDK2GSK3BHPGDALDH1A1NPSR1
SCHEMBL13120309 0.86 CDK2 (0.55) CDK2GSK3BHPGDALDH1A1CCNA2
SCHEMBL13119725 0.85 CDK2 (0.57) CDK2GSK3BNPSR1CYP1A2CYP2C19

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 10 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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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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