SCHEMBL9869764

SCHEMBL9869764

CCc1ncnc(NC(c2ccc(O)cc2)C(C)C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
EGFR P00533 2/20 0.34

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
SCHEMBL9524967 0.99 CRHR1 (0.36) CRHR1CCNB2CDK1CCNB1CCNB3
SCHEMBL9215503 0.84 EGFR (0.47) CRHR1EGFR
SCHEMBL9523092 0.83 EGFR (0.46) CRHR1EGFR
SCHEMBL10463534 0.82 CRHR1 (0.44) CRHR1EGFR
SCHEMBL28943348 0.75 AURKA (0.40) CRHR1CDK1CCNB1EGFR
SCHEMBL28943346 0.75 AURKA (0.40) CRHR1CDK1CCNB1EGFR
SCHEMBL17085318 0.74 GALR3 (0.54) EGFR
SCHEMBL8304355 0.74 GALR3 (0.38) EGFR
SCHEMBL9838456 0.74 GALR3 (0.38) CRHR1EGFR
SCHEMBL7992661 0.73 KDM4E (0.41) CRHR1CDK1EGFR

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
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed