SCHEMBL17612934

SCHEMBL17612934

Cc1ccc(C(=O)Nc2cc(OC(F)(F)F)cc(N(C)CCN(C)C)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
ABL1 P00519 6/20 0.42
BRAF P15056 12/20 0.41
GPR142 Q7Z601 1/20 0.40

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
SCHEMBL17612980 0.91 BRAF (0.42) MCHR1ABL1BRAFGPR142
SCHEMBL12398219 0.86 GPR142 (0.54) MCHR1ABL1BRAFGPR142
SCHEMBL17612910 0.82 BRAF (0.40) BRAF
SCHEMBL12398225 0.78 BRAF (0.54) ABL1BRAFGPR142
SCHEMBL17612983 0.77 TEK (0.43) BRAF
SCHEMBL17612981 0.77 BRAF (0.39) MCHR1BRAF
SCHEMBL12398231 0.76 GPR142 (0.55) ABL1BRAFGPR142
SCHEMBL17612985 0.76 BRAF (0.38) ABL1BRAF
SCHEMBL12398015 0.75 BRAF (0.57) ABL1BRAFGPR142
SCHEMBL17612946 0.75 ABL1 (0.45) ABL1GPR142

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-2173734-B1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed