SCHEMBL17612912

SCHEMBL17612912

Cc1ccc(C(=O)Nc2ccc(CN3CC(O)C3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.51
BCR P11274 11/20 0.51
KIT P10721 2/20 0.49
BRAF P15056 6/20 0.48
EGFR P00533 5/20 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
SCHEMBL17612913 0.88 ABL1 (0.48) ABL1BCRKITBRAFEGFR
SCHEMBL12397882 0.86 ABL1 (0.64) ABL1BCR
SCHEMBL17612997 0.79 DDR2 (0.50) ABL1BCRKITBRAF
SCHEMBL17612975 0.79 DDR2 (0.45) ABL1BCRKIT
SCHEMBL12396884 0.78 ABL1 (0.55) ABL1BCR
SCHEMBL12397884 0.77 ABL1 (0.69) ABL1BCR
SCHEMBL12397827 0.77 ABL1 (0.69) ABL1BCR
SCHEMBL17612957 0.77 ABL1 (0.38) ABL1BCRBRAFEGFR
SCHEMBL12397845 0.77 ABL1 (0.77) ABL1BCR
SCHEMBL12397854 0.77 ABL1 (0.70) 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