SCHEMBL17612930

SCHEMBL17612930

C=C(F)c1cc(CN(C)C)cc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc(NC(C)=O)s4)nn3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.39
ABL1 P00519 9/20 0.38
BCR P11274 9/20 0.38
GPR142 Q7Z601 3/20 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
SCHEMBL13960414 0.94 BRAF (0.40) BRAFABL1BCRGPR142
SCHEMBL17612990 0.89 BRAF (0.41) BRAFABL1BCRGPR142
SCHEMBL12465168 0.89 BRAF (0.46) BRAFABL1BCRGPR142
SCHEMBL12465270 0.89 BRAF (0.44) BRAF
SCHEMBL17612995 0.82 BRAF (0.40) BRAFABL1BCRGPR142
SCHEMBL12465189 0.82 BRAF (0.45) BRAFABL1BCRGPR142
SCHEMBL12397470 0.82 GPR142 (0.49) BRAFABL1BCRGPR142
SCHEMBL12465271 0.82 BRAF (0.43) BRAF
SCHEMBL12465130 0.79 GPR142 (0.43) BRAFABL1BCRGPR142
SCHEMBL17612952 0.79 RAF1 (0.34) BRAFABL1BCR

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