SCHEMBL17612960

SCHEMBL17612960

Cc1ccc(C(=O)Nc2cc(CN3CCC(F)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)n1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 15/20 0.49
BRAF P15056 3/20 0.48
DDR1 Q08345 11/20 0.47
KIT P10721 2/20 0.47
ABL1 P00519 5/20 0.45
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
BCR P11274 2/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL17612914 0.86 DDR2 (0.49) DDR2BRAFDDR1KITABL1
SCHEMBL12397002 0.86 ABL1 (0.51) DDR2BRAFDDR1ABL1BCR
SCHEMBL17612997 0.82 DDR2 (0.50) DDR2BRAFDDR1KITABL1
SCHEMBL17612900 0.82 CSF1R (0.43) DDR2BRAFDDR1KITABL1
SCHEMBL12397448 0.81 ABL1 (0.50) DDR2ABL1BCR
SCHEMBL12396980 0.79 DDR2 (0.52) DDR2BRAFDDR1KITABL1
SCHEMBL12397452 0.79 DDR2 (0.54) DDR2BRAFDDR1KITABL1
SCHEMBL12397101 0.79 GPR142 (0.48) DDR2BRAFABL1BCR
SCHEMBL17612979 0.79 ABL1 (0.41) DDR2BRAFDDR1KITABL1
SCHEMBL17612971 0.77 GPR142 (0.35) DDR2BRAFDDR1KITABL1

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