SCHEMBL16784435

SCHEMBL16784435

CNS(=O)(=O)c1cccc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.76
▸ CCNA2 P20248 3/20 0.61
▸ CDK2 P24941 3/20 0.61
▸ CCNA1 P78396 3/20 0.61

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
SCHEMBL11931077 0.92 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931235 0.92 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542931 0.90 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931076 0.90 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931071 0.86 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931075 0.85 CHEK1 (0.79) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931233 0.85 CHEK1 (0.80) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931084 0.84 CHEK1 (0.84) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931073 0.83 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931085 0.83 CHEK1 (0.87) 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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