SCHEMBL3880080

SCHEMBL3880080

COc1c(OC(N)=O)cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H]3C[C@H]3c3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.38
SRC P12931 7/20 0.38
KDR P35968 6/20 0.36
FLT1 P17948 5/20 0.36
ABL1 P00519 4/20 0.36
SYK P43405 4/20 0.36
TRPM5 Q9NZQ8 1/20 0.31
KDM1A O60341 3/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CFD P00746 1/20 0.30

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
SCHEMBL3880451 0.94 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3882523 0.93 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3884236 0.92 EGFR (0.38) EGFRSRCKDRFLT1ABL1
SCHEMBL3880153 0.90 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3884015 0.88 EGFR (0.40) EGFRSRCKDRFLT1ABL1
SCHEMBL3883318 0.87 EGFR (0.39) EGFRSRCKDRFLT1ABL1
SCHEMBL3886602 0.87 EGFR (0.36) EGFRSRCKDRFLT1ABL1
SCHEMBL3881229 0.85 EGFR (0.38) EGFRSRCKDRFLT1ABL1
SCHEMBL3884489 0.85 EGFR (0.34) EGFRSRCKDRFLT1ABL1
SCHEMBL3948070 0.82 EGFR (0.35) EGFRSRCKDRFLT1ABL1

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-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed