SCHEMBL1688702

SCHEMBL1688702

Cc1cc(-c2ncc[nH]2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.58
DAPK3 O43293 2/20 0.49
NTRK1 P04629 2/20 0.49
PIM1 P11309 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 2/20 0.49
ROCK1 Q13464 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
AURKA O14965 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49

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
SCHEMBL27586670 0.84 NISCH (0.63) NISCHBRD4MTORADKKDM4E
SCHEMBL1288737 0.84 NISCH (0.53) NISCHBRD4MTORADKVCP
SCHEMBL1838153 0.79 NISCH (0.58) NISCHBRD4MTORADKKDM4E
SCHEMBL1688469 0.79 NISCH (0.49) NISCHKDRMTORADKVCP
SCHEMBL27586669 0.79 NISCH (0.49) NISCHBRD4MTORADKVCP
SCHEMBL7832944 0.79 NISCH (0.58) NISCHBRD4MTORADKVCP
Hydrochloric Acid SCHEMBL27817951 0.78 NISCH (0.56) NISCHBRD4MTORADKKDM4E
SCHEMBL9495458 0.77 NISCH (0.54) NISCHBRD4MTORADKVCP
SCHEMBL3649556 0.76 NISCH (0.58) NISCHNTRK1BRD4MTORADK
SCHEMBL7060159 0.76 NISCH (0.49) NISCHCSNK1A1TYRO3DYRK1BBRD4

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
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed