SCHEMBL6431057

SCHEMBL6431057

Cn1ncc(/C=C/C(=O)Nc2ccc(Cc3ncccc3O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.42
CDK8 P49336 11/20 0.42
CDK19 Q9BWU1 2/20 0.42
NAMPT P43490 3/20 0.38
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
HSP90AA1 P07900 1/20 0.38
EGFR P00533 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4833494 0.86 CCNC (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4833485 0.86 CCNC (0.43) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831386 0.85 EGFR (0.48) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831378 0.85 EGFR (0.48) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831468 0.82 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831457 0.82 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4831578 0.82 CCNC (0.42) CCNCCDK8CDK19
SCHEMBL4831592 0.82 CCNC (0.42) CCNCCDK8CDK19
SCHEMBL4826317 0.82 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2
SCHEMBL4826330 0.82 CCNC (0.49) CCNCCDK8CDK19MMP1MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed