SCHEMBL3413291

SCHEMBL3413291

C=C(Nc1cn2cc(CO)ccc2n1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.55
MCHR1 Q99705 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ABL1 P00519 2/20 0.34
METTL3 Q86U44 2/20 0.34
CLK2 P49760 1/20 0.33
LRRK2 Q5S007 2/20 0.33
RET P07949 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
ITK Q08881 1/20 0.33
MERTK Q12866 1/20 0.33
PRKAA1 Q13131 1/20 0.33
ROCK1 Q13464 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL253485 0.84 MAP3K5 (0.61) MAP3K5MCHR1PIK3CAPIK3CDPIK3CB
SCHEMBL14647252 0.82 MAP3K5 (0.54) MAP3K5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3414796 0.74 MAP3K5 (0.47) MAP3K5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3486067 0.71 MAP3K5 (1.00) MAP3K5CLK2RETCDK2GSK3B
SCHEMBL8829997 0.66 MAP3K5 (0.47) MAP3K5MCHR1METTL3
SCHEMBL18727768 0.66 MAP3K5 (0.44) MAP3K5PIK3CGMETTL3
SCHEMBL1318544 0.65 MAP3K5 (0.61) MAP3K5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14468041 0.65 MAP3K5 (0.60) MAP3K5MCHR1PIK3CAPIK3CDPIK3CB
SCHEMBL22528949 0.64 METTL3 (0.44) MAP3K5MCHR1METTL3
SCHEMBL2249756 0.64 METTL3 (0.44) MAP3K5MCHR1ABL1METTL3

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-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed