SCHEMBL18403264

SCHEMBL18403264

Nc1ncc(-c2cc([C@@]34C5[C@H]3[C@H]4CN5C3COC3)n(CC(F)(F)F)n2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.62
MAP3K13 O43283 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
MAP3K9 P80192 1/20 0.41
MAP3K10 Q02779 1/20 0.41
DMPK Q09013 1/20 0.41
EPHA7 Q15375 1/20 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
SCHEMBL18403354 0.90 MAP3K12 (0.62) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19937925 0.88 MAP3K12 (0.61) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19937929 0.82 MAP3K12 (0.58) MAP3K12
SCHEMBL18403299 0.82 MAP3K12 (0.58) MAP3K12
SCHEMBL18403366 0.82 MAP3K12 (0.58) MAP3K12
SCHEMBL18403305 0.82 MAP3K12 (0.58) MAP3K12
SCHEMBL18403242 0.81 MAP3K12 (0.63) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL22137474 0.81 MAP3K12 (0.63) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19937903 0.78 MAP3K12 (0.63) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18403309 0.78 MAP3K12 (0.63) MAP3K12MAP3K13NTRK1CSF1RAXL

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
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 US disclosed