SCHEMBL3879966

SCHEMBL3879966

COc1c(C#N)cnc2ccc(/C=S3/CC(=O)N=C3SC)cc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.41
MAP2K1 Q02750 2/20 0.33
PDE4B Q07343 1/20 0.33
EGFR P00533 4/20 0.32
ERBB2 P04626 1/20 0.32
GAK O14976 1/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL3880431 0.91 SRC (0.34) SRC
SCHEMBL3879965 0.78 SRC (0.31) SRC
SCHEMBL3887939 0.78 SRC (0.33) SRC
SCHEMBL3880103 0.78 SRC (0.34) SRCEGFRERBB2
SCHEMBL3880068 0.77 SRC (0.34) SRCEGFR
SCHEMBL3880415 0.76 XDH (0.33) SRCEGFR
SCHEMBL3881251 0.76 SRC (0.32) SRC
SCHEMBL3881544 0.76 SRC (0.33) SRC
SCHEMBL3879940 0.76 EGFR (0.34) SRCEGFRERBB2
SCHEMBL3890405 0.75 SRC (0.34) SRC

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 disclosed