SCHEMBL14542953

SCHEMBL14542953

COc1cc(C2CCCNC2)nc2c(Br)cnn12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.73
▸ CCNA2 P20248 15/20 0.73
▸ CDK2 P24941 15/20 0.73
▸ CCNA1 P78396 15/20 0.73
▸ GSK3B P49841 1/20 0.54

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
SCHEMBL17826802 0.86 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930867 0.85 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL14543105 0.84 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14541357 0.82 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL14543052 0.81 CCNA2 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542883 0.81 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543108 0.80 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784500 0.79 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413737 0.78 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413738 0.78 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069349-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-06-15 — — EP disclosed
EP-2069350-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-02-17 — — EP disclosed
EP-2069348-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-12-30 — — EP disclosed
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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