SCHEMBL13120401

SCHEMBL13120401

COc1ccc(C(=O)N(C)CCCNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.52
▸ CDK2 P24941 10/20 0.51
▸ CCNE1 P24864 3/20 0.45
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ IKBKE Q14164 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13120417 0.93 GSK3B (0.53) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120372 0.93 GSK3B (0.53) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120402 0.92 GSK3B (0.55) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120411 0.91 GSK3B (0.54) GSK3BCDK2CCNE1KDM4ENPSR1
SCHEMBL13120405 0.91 GSK3B (0.54) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120442 0.91 CDK2 (0.61) GSK3BCDK2CCNE1
SCHEMBL13120407 0.89 GSK3B (0.52) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120396 0.89 GSK3B (0.55) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120399 0.89 GSK3B (0.51) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120429 0.89 GSK3B (0.51) GSK3BCDK2CCNE1CCNA2CCNA1

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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