SCHEMBL14543052

SCHEMBL14543052

COc1cc(C2CCCNC2)nc2c(-c3cscn3)cnn12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 14/20 0.77
▸ CDK2 P24941 14/20 0.77
▸ CCNA1 P78396 14/20 0.77
▸ CHEK1 O14757 19/20 0.55

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
SCHEMBL11930904 0.87 CCNA2 (1.00) CCNA2CDK2CCNA1CHEK1
SCHEMBL14543108 0.83 CHEK1 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL14542953 0.81 CHEK1 (0.73) CCNA2CDK2CCNA1CHEK1
SCHEMBL14542883 0.80 CHEK1 (0.78) CCNA2CDK2CCNA1CHEK1
SCHEMBL17826802 0.79 CHEK1 (0.57) CCNA2CDK2CCNA1CHEK1
SCHEMBL16784500 0.79 CHEK1 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL17366198 0.78 CHEK1 (0.73) CCNA2CDK2CCNA1CHEK1
SCHEMBL14543105 0.78 CHEK1 (0.77) CCNA2CDK2CCNA1CHEK1
SCHEMBL11931334 0.78 CCNA2 (0.72) CCNA2CDK2CCNA1CHEK1
SCHEMBL11931327 0.76 CCNA2 (0.47) CCNA2CDK2CCNA1

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 4 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-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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