SCHEMBL13960002

SCHEMBL13960002

Cc1ccc(C(=O)Nc2cc(OC(F)(F)F)cc(N(C)CCN3CCCC3)c2)cc1N(N)/C=C(\N)c1cnn(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.37
KCNH2 Q12809 1/20 0.37
BRAF P15056 8/20 0.36
MCHR1 Q99705 1/20 0.36
KIT P10721 1/20 0.35
EPHX2 P34913 3/20 0.35
CSF1R P07333 2/20 0.35
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
GPR142 Q7Z601 1/20 0.34

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
SCHEMBL13959996 0.85 CSF1R (0.37) ABL1BRAFKITCSF1REGFR
SCHEMBL13961067 0.84 TEK (0.40) BRAFCSF1R
SCHEMBL13960588 0.82 MAPT (0.35) ABL1BRAFMCHR1KITCSF1R
SCHEMBL13960357 0.82 CSF1R (0.48) ABL1BRAFKITCSF1RGPR142
SCHEMBL13960600 0.81 ABL1 (0.48) ABL1BRAF
SCHEMBL13960583 0.81 BRAF (0.40) ABL1BRAFKITCSF1REGFR
SCHEMBL13960605 0.81 LCK (0.41) ABL1BRAFKITCSF1R
SCHEMBL13960848 0.79 DDR2 (0.50) ABL1BRAFKIT
SCHEMBL13960475 0.79 BRAF (0.46) ABL1BRAFKITEGFR
SCHEMBL13959990 0.78 BRAF (0.45) ABL1BRAFKITEGFR

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-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed