SCHEMBL3931897

SCHEMBL3931897

Cc1cc2c(cn1)ncn2-c1cc(O[C@H](C)c2ccccc2F)c(C(N)=O)s1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.63
PLK3 Q9H4B4 11/20 0.63
CDK2 P24941 1/20 0.63
IKBKE Q14164 1/20 0.63
CYP2C9 P11712 1/20 0.57

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
SCHEMBL3931682 0.90 PLK1 (0.77) PLK1PLK3CYP2C9
SCHEMBL3741864 0.89 PLK1 (0.60) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3740997 0.85 PLK1 (0.59) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3745101 0.85 PLK1 (0.56) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3749457 0.85 PLK1 (0.56) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3731446 0.84 PLK1 (0.58) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3740675 0.84 PLK1 (0.58) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3731989 0.83 PLK1 (0.68) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3734763 0.83 PLK1 (0.60) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3739968 0.83 PLK1 (0.68) PLK1PLK3CDK2IKBKECYP2C9

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
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed