SCHEMBL17612974

SCHEMBL17612974

COc1c(CN2CCN(C)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)n2C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.41
RET P07949 6/20 0.40
EGFR P00533 5/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
KIT P10721 2/20 0.39
DDR1 Q08345 2/20 0.39
DDR2 Q16832 1/20 0.39
CSF1R P07333 1/20 0.39
CCDC6 Q16204 1/20 0.39
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL17612970 0.89 BRAF (0.38) BRAFABL1
SCHEMBL12397291 0.87 ABL1 (0.51) ABL1BCR
SCHEMBL12397273 0.85 ABL1 (0.49) BRAFABL1BCR
SCHEMBL17612891 0.82 BRAF (0.42) BRAFABL1BCR
SCHEMBL12397355 0.82 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397347 0.82 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397439 0.82 ABL1 (0.55) ABL1BCR
SCHEMBL12397363 0.80 ABL1 (0.44) BRAFABL1BCR
SCHEMBL17612914 0.80 DDR2 (0.49) BRAFRETABL1BCRKIT
SCHEMBL12397372 0.79 ABL1 (0.42) 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