SCHEMBL17612980

SCHEMBL17612980

Cc1ccc(C(=O)Nc2cc(OC(F)(F)F)cc(N(C)CCN3CCCC3)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.42
GPR142 Q7Z601 1/20 0.40
ABL1 P00519 9/20 0.39
KCNH2 Q12809 1/20 0.39
RAF1 P04049 1/20 0.36
CSF1R P07333 2/20 0.35
BCR P11274 3/20 0.35
MCHR1 Q99705 1/20 0.35
JAK2 O60674 1/20 0.35
SRC P12931 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
SCHEMBL17612934 0.91 MCHR1 (0.43) BRAFGPR142ABL1MCHR1
SCHEMBL12398225 0.87 BRAF (0.54) BRAFGPR142ABL1BCR
SCHEMBL17612919 0.79 BRAF (0.54) BRAFGPR142ABL1BCR
SCHEMBL13960002 0.78 ABL1 (0.37) BRAFGPR142ABL1KCNH2CSF1R
SCHEMBL12398219 0.78 GPR142 (0.54) BRAFGPR142ABL1BCRMCHR1
SCHEMBL12398160 0.77 BRAF (0.61) BRAFGPR142ABL1BCR
SCHEMBL17612910 0.74 BRAF (0.40) BRAF
SCHEMBL12397171 0.74 GPR142 (0.54) GPR142ABL1BCR
SCHEMBL17612946 0.73 ABL1 (0.45) GPR142ABL1CSF1RBCRSRC
SCHEMBL12398217 0.72 BRAF (0.55) BRAFGPR142ABL1BCR

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