SCHEMBL17612913

SCHEMBL17612913

Cc1ccc(C(=O)Nc2ccc(CNC3CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.48
BCR P11274 13/20 0.48
EGFR P00533 5/20 0.47
BRAF P15056 5/20 0.47
KIT P10721 1/20 0.45

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
SCHEMBL17612912 0.88 ABL1 (0.51) ABL1BCREGFRBRAFKIT
SCHEMBL12397887 0.85 ABL1 (0.62) ABL1BCR
SCHEMBL17612957 0.80 ABL1 (0.38) ABL1BCREGFRBRAF
SCHEMBL17612946 0.78 ABL1 (0.45) ABL1BCRKIT
SCHEMBL12465323 0.78 ABL1 (0.54) ABL1BCR
SCHEMBL13960494 0.78 ABL1 (0.39) ABL1BCREGFRBRAFKIT
SCHEMBL17612985 0.78 BRAF (0.38) ABL1BCREGFRBRAF
SCHEMBL17612910 0.77 BRAF (0.40) BRAF
SCHEMBL17612997 0.76 DDR2 (0.50) ABL1BCRBRAFKIT
SCHEMBL12397799 0.75 ABL1 (0.61) ABL1BCR

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