SCHEMBL17612985

SCHEMBL17612985

Cc1ccc(C(=O)Nc2cc(CNCCN(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.38
ABL1 P00519 10/20 0.37
BCR P11274 10/20 0.37
DDR1 Q08345 2/20 0.36
DDR2 Q16832 2/20 0.36
EGFR P00533 4/20 0.36
RAF1 P04049 1/20 0.35
ARAF P10398 1/20 0.35

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
SCHEMBL17612957 0.88 ABL1 (0.38) BRAFABL1BCRDDR1DDR2
SCHEMBL12464928 0.87 ABL1 (0.49) BRAFABL1BCR
SCHEMBL17612910 0.82 BRAF (0.40) BRAF
SCHEMBL12465298 0.80 ABL1 (0.50) ABL1BCR
SCHEMBL12465144 0.79 ABL1 (0.49) ABL1BCR
SCHEMBL12397841 0.79 ABL1 (0.58) ABL1BCR
SCHEMBL12465082 0.79 ABL1 (0.50) ABL1BCR
SCHEMBL17612913 0.78 ABL1 (0.48) BRAFABL1BCREGFR
SCHEMBL12396860 0.78 ABL1 (0.52) ABL1BCR
SCHEMBL17612996 0.77 BRAF (0.40) BRAFABL1BCRDDR1DDR2

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