SCHEMBL17612995

SCHEMBL17612995

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.40
ABL1 P00519 11/20 0.38
BCR P11274 11/20 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
SCHEMBL17612990 0.93 BRAF (0.41) BRAFABL1BCRGPR142
SCHEMBL12465132 0.90 GPR142 (0.43) BRAFABL1BCRGPR142
SCHEMBL12397507 0.83 GPR142 (0.47) BRAFABL1BCRGPR142
SCHEMBL12465130 0.83 GPR142 (0.43) BRAFABL1BCRGPR142
SCHEMBL17612930 0.82 BRAF (0.39) BRAFABL1BCRGPR142
SCHEMBL12465269 0.82 BRAF (0.45) BRAFABL1BCR
SCHEMBL12465189 0.80 BRAF (0.45) BRAFABL1BCRGPR142
SCHEMBL12465135 0.79 ABL1 (0.48) ABL1BCR
SCHEMBL12465271 0.79 BRAF (0.43) BRAF
SCHEMBL12465343 0.78 TEK (0.52) 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