SCHEMBL17612979

SCHEMBL17612979

Cc1ccc(C(=O)Nc2cc(N3CCC(N4CCCCC4)C3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)n1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.41
BCR P11274 2/20 0.41
CSF1R P07333 2/20 0.41
LYN P07948 1/20 0.41
KIT P10721 1/20 0.41
BRAF P15056 7/20 0.40
DDR2 Q16832 3/20 0.39
DDR1 Q08345 2/20 0.39
HCK P08631 1/20 0.39
NR2C2 P49116 1/20 0.39
BTK Q06187 1/20 0.39
RAF1 P04049 1/20 0.39
MAP3K7 O43318 2/20 0.39
MAP4K2 Q12851 2/20 0.39
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
TEK Q02763 1/20 0.38
MAPK14 Q16539 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
SCHEMBL17612900 0.90 CSF1R (0.43) ABL1CSF1RLYNKITBRAF
SCHEMBL12398051 0.87 BRAF (0.51) ABL1BCRBRAF
SCHEMBL17612960 0.79 DDR2 (0.49) ABL1BCRKITBRAFDDR2
SCHEMBL12398062 0.77 BRAF (0.54) ABL1BCRBRAF
SCHEMBL12398073 0.77 ABL1 (0.51) ABL1BCRBRAF
SCHEMBL12397967 0.77 BRAF (0.56) ABL1BCRBRAF
SCHEMBL17612916 0.76 ABL1 (0.54) ABL1BCRCSF1RLYNKIT
SCHEMBL17612992 0.76 ABL1 (0.50) ABL1BCRBRAF
SCHEMBL12398168 0.76 ABL1 (0.50) ABL1BCRBRAF
SCHEMBL12397996 0.76 BRAF (0.56) ABL1BCRBRAF

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