SCHEMBL17612941

SCHEMBL17612941

Cc1ccc(C(=O)Nc2cc(N3CCC(N(C)C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cn[nH]c2C)nn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.59
ABL1 P00519 8/20 0.56
BCR P11274 8/20 0.56
GPR142 Q7Z601 1/20 0.48

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
SCHEMBL17612976 0.92 ABL1 (0.60) BRAFABL1BCRGPR142
SCHEMBL17612918 0.90 ABL1 (0.59) BRAFABL1BCRGPR142
SCHEMBL17612949 0.89 ABL1 (0.55) BRAFABL1BCRGPR142
SCHEMBL17612945 0.89 ABL1 (0.58) BRAFABL1BCRGPR142
SCHEMBL12398053 0.88 BRAF (0.59) BRAFABL1BCRGPR142
SCHEMBL17612982 0.88 ABL1 (0.56) BRAFABL1BCRGPR142
SCHEMBL12398094 0.84 BRAF (0.60) BRAFABL1BCRGPR142
SCHEMBL12398018 0.84 BRAF (0.60) BRAFABL1BCRGPR142
SCHEMBL12398091 0.84 BRAF (0.60) BRAFABL1BCRGPR142
SCHEMBL12398085 0.83 BRAF (0.67) 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