SCHEMBL17612997

SCHEMBL17612997

Cc1ccc(C(=O)Nc2cc(CN3CCC(O)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 17/20 0.50
DDR1 Q08345 13/20 0.47
KIT P10721 2/20 0.47
ABL1 P00519 6/20 0.44
BRAF P15056 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
BCR P11274 3/20 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
SCHEMBL12397448 0.86 ABL1 (0.50) DDR2ABL1BCR
SCHEMBL17612975 0.86 DDR2 (0.45) DDR2DDR1KITABL1BCR
SCHEMBL17612977 0.85 BRAF (0.46) DDR1KITABL1BRAF
SCHEMBL17612946 0.84 ABL1 (0.45) DDR2KITABL1NTRK3BCR
SCHEMBL17612960 0.82 DDR2 (0.49) DDR2DDR1KITABL1BRAF
SCHEMBL12397101 0.82 GPR142 (0.48) DDR2ABL1BRAFBCR
SCHEMBL12397002 0.81 ABL1 (0.51) DDR2DDR1ABL1BRAFBCR
SCHEMBL12397318 0.81 ABL1 (0.46) DDR2DDR1KITABL1BCR
SCHEMBL12397444 0.79 GPR142 (0.50) DDR2ABL1BRAFBCR
SCHEMBL13960449 0.79 DDR2 (0.47) DDR2DDR1KITABL1BCR

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