SCHEMBL13120259

SCHEMBL13120259

O=C(NCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.58
▸ GSK3B P49841 8/20 0.57
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SMYD2 Q9NRG4 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL13120050 0.95 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1HPGD
SCHEMBL13120135 0.95 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1HPGD
SCHEMBL13120245 0.93 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120269 0.90 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1
SCHEMBL13119477 0.90 CDK2 (0.69) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120263 0.89 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1
SCHEMBL13119365 0.89 CDK2 (0.66) CDK2GSK3BCCNA2CCNA1
SCHEMBL14545889 0.88 CDK2 (0.44) CDK2GSK3BHPGDSMN1; SMN2SLC6A4
SCHEMBL13120030 0.87 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1HPGD
SCHEMBL13120109 0.87 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1HPGD

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 12 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
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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