SCHEMBL17612946

SCHEMBL17612946

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.45
LCK P06239 5/20 0.45
CSF1R P07333 3/20 0.45
SRC P12931 2/20 0.45
BMX P51813 2/20 0.45
FYN P06241 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
FGR P09769 1/20 0.45
CSK P41240 1/20 0.45
BLK P51451 1/20 0.45
SRMS Q9H3Y6 1/20 0.45
BCR P11274 5/20 0.42
KDR P35968 5/20 0.42
KIT P10721 3/20 0.42
MAPK14 Q16539 2/20 0.42
PDGFRB P09619 2/20 0.42
GPR142 Q7Z601 1/20 0.41
EPHB4 P54760 3/20 0.41

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
SCHEMBL17612997 0.84 DDR2 (0.50) ABL1BCRKITRETNTRK3
SCHEMBL12398650 0.84 ABL1 (0.42) ABL1LCKCSF1RSRCBMX
SCHEMBL12398649 0.84 GPR142 (0.56) ABL1BCRGPR142
SCHEMBL17612913 0.78 ABL1 (0.48) ABL1BCRKIT
SCHEMBL17612910 0.77 BRAF (0.40)
SCHEMBL17612957 0.77 ABL1 (0.38) ABL1CSF1RHCKBCRKDR
SCHEMBL17612975 0.76 DDR2 (0.45) ABL1BCRKITRETDDR2
SCHEMBL17612954 0.76 ALDH1A1 (0.40) MAPK14
SCHEMBL17612912 0.76 ABL1 (0.51) ABL1BCRKIT
SCHEMBL17612934 0.75 MCHR1 (0.43) ABL1GPR142

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