SCHEMBL3884489

SCHEMBL3884489

CCOC(=O)Oc1cnc2ccc(/C=S3/CC(=O)N=C3N[C@@H]3C[C@H]3c3ccccc3)cc2c1OCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.34
SRC P12931 6/20 0.33
KDR P35968 4/20 0.32
ABL1 P00519 3/20 0.32
FLT1 P17948 3/20 0.32
SYK P43405 3/20 0.32
KDM4E B2RXH2 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 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
SCHEMBL3883356 0.89 MAPT (0.38) EGFRSRCKDM4E
SCHEMBL3882523 0.88 EGFR (0.39) EGFRSRCKDRABL1FLT1
SCHEMBL3948070 0.88 EGFR (0.35) EGFRSRCKDRABL1FLT1
SCHEMBL3880451 0.86 EGFR (0.39) EGFRSRCKDRABL1FLT1
SCHEMBL3880080 0.85 EGFR (0.38) EGFRSRCKDRABL1FLT1
SCHEMBL3884236 0.84 EGFR (0.38) EGFRSRCKDRABL1FLT1
SCHEMBL3880236 0.84 EGFR (0.47) EGFRSRCKDRABL1FLT1
SCHEMBL3884015 0.82 EGFR (0.40) EGFRSRCKDRABL1FLT1
SCHEMBL3886602 0.81 EGFR (0.36) EGFRSRCKDRABL1FLT1
SCHEMBL3883318 0.81 EGFR (0.39) EGFRSRCKDRABL1FLT1

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