SCHEMBL13119558

SCHEMBL13119558

O=C(Nc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.61
▸ GSK3B P49841 6/20 0.57
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CCNE1 P24864 3/20 0.42
▸ TCF4 P15884 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAP4K1 Q92918 2/20 0.41

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
SCHEMBL15381299 1.00 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14598761 0.93 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119466 0.93 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119651 0.93 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL15576816 0.89 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119345 0.89 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119523 0.88 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14562148 0.88 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120252 0.86 CDK2 (0.55) CDK2GSK3BMAP4K1
SCHEMBL13120122 0.84 CDK2 (0.54) CDK2GSK3BMAP4K1

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 8 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-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
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