SCHEMBL19937787

SCHEMBL19937787

Nc1ncc(-c2ccn(C3CC3)n2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 19/20 0.54
TNF P01375 1/20 0.48
MAP3K13 O43283 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
MAP3K9 P80192 1/20 0.45
MAP3K10 Q02779 1/20 0.45
DMPK Q09013 1/20 0.45
EPHA7 Q15375 1/20 0.45

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
SCHEMBL19937642 0.95 MAP3K12 (0.55) MAP3K12TNF
SCHEMBL19937751 0.95 MAP3K12 (0.53) MAP3K12TNF
SCHEMBL19937781 0.80 MAP3K12 (0.50) MAP3K12
SCHEMBL19937665 0.79 MAP3K12 (0.52) MAP3K12TNFMAP3K13NTRK1CSF1R
SCHEMBL19937631 0.77 MAP3K12 (0.54) MAP3K12TNFMAP3K13NTRK1CSF1R
SCHEMBL19937624 0.77 MAP3K12 (0.54) MAP3K12MAP3K13NTRK1FLT3MAP3K9
SCHEMBL19937632 0.77 MAP3K12 (0.54) MAP3K12MAP3K13NTRK1FLT3MAP3K9
SCHEMBL19937793 0.76 MAP3K12 (0.52) MAP3K12TNF
SCHEMBL19937610 0.75 MAP3K12 (0.51) MAP3K12
SCHEMBL19937608 0.75 MAP3K12 (0.52) MAP3K12TNF

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