SCHEMBL13121302

SCHEMBL13121302

CCS(=O)(=O)N(C)CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.59
▸ CDK2 P24941 10/20 0.58
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ CCNE1 P24864 2/20 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
SCHEMBL13121307 0.96 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL12954499 0.92 GSK3B (0.60) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121345 0.90 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121383 0.90 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121407 0.90 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121398 0.89 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121352 0.88 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121376 0.88 GSK3B (0.55) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121397 0.88 GSK3B (0.58) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121385 0.88 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E

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 11 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-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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