SCHEMBL19937851

SCHEMBL19937851

Nc1ncc(-c2ccn(CC3CC3)n2)cc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.51
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
CRHR1 P34998 1/20 0.35
MAP3K13 O43283 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MAP3K9 P80192 1/20 0.34
MAP3K10 Q02779 1/20 0.34
DMPK Q09013 1/20 0.34
EPHA7 Q15375 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL19937864 0.95 MAP3K12 (0.52) MAP3K12FGFR1FGFR2FGFR3CRHR1
SCHEMBL19937617 0.84 MAP3K12 (0.50) MAP3K12FGFR1FGFR2FGFR3CRHR1
SCHEMBL19937997 0.81 MAP3K12 (0.52) MAP3K12FGFR1FGFR2FGFR3PIK3CA
SCHEMBL19937780 0.81 MAP3K12 (0.52) MAP3K12FGFR1FGFR2FGFR3CRHR1
SCHEMBL19937665 0.81 MAP3K12 (0.52) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19937750 0.80 MAP3K12 (0.55) MAP3K12
SCHEMBL19937631 0.76 MAP3K12 (0.54) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19937987 0.76 MAP3K12 (0.56) MAP3K12
SCHEMBL19937643 0.76 MAP3K12 (0.50) MAP3K12FGFR1FGFR2FGFR3
SCHEMBL19937613 0.76 MAP3K12 (0.50) MAP3K12PIK3CDPIK3CAPIK3CG

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-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed