SCHEMBL17612971

SCHEMBL17612971

Cc1ccc(C(=O)Nc2cc(CNC(C)C)cc(C(C)(C)C)c2)cc1-n1cc(-c2cnn(C)c2C)n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.35
DDR2 Q16832 8/20 0.33
DDR1 Q08345 5/20 0.33
ABL1 P00519 4/20 0.33
BCR P11274 4/20 0.33
KIT P10721 2/20 0.33
TEK Q02763 1/20 0.33
BRAF P15056 1/20 0.33
EGFR P00533 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12465091 0.85 GPR142 (0.46) GPR142ABL1BCRBRAF
SCHEMBL12465242 0.79 GPR142 (0.52) GPR142ABL1BCRBRAF
SCHEMBL17612960 0.77 DDR2 (0.49) DDR2DDR1ABL1BCRKIT
SCHEMBL12465162 0.76 BRAF (0.47) GPR142ABL1BCRTEKBRAF
SCHEMBL13960551 0.74 KIT (0.33) DDR2DDR1ABL1BCRKIT
SCHEMBL17612891 0.74 BRAF (0.42) ABL1BCRBRAF
SCHEMBL17612914 0.74 DDR2 (0.49) DDR2DDR1ABL1BCRKIT
SCHEMBL12465279 0.73 GPR142 (0.44) GPR142DDR2DDR1ABL1BCR
SCHEMBL12397132 0.73 GPR142 (0.47) GPR142ABL1BCRBRAF
SCHEMBL12397125 0.73 ABL1 (0.48) GPR142DDR2DDR1ABL1BCR

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