SCHEMBL16784428

SCHEMBL16784428

CN1CCCC(c2cc(Nc3ccc4c(c3)OCO4)n3ncc(-c4cnn(C)c4)c3n2)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.76
▸ CCNA2 P20248 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CCNA1 P78396 3/20 0.47

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
SCHEMBL11931566 0.89 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931072 0.86 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931558 0.86 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL17366199 0.80 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931598 0.75 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218818 0.74 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931567 0.73 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL14219043 0.73 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931569 0.73 CHEK1 (0.54) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931597 0.72 CHEK1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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