SCHEMBL18403304

SCHEMBL18403304

CC12CN(C3COC3)C[C@H]1[C@@H]2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.70
MAP3K13 O43283 1/20 0.46
NTRK1 P04629 1/20 0.46
CSF1R P07333 1/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46
MAP3K9 P80192 1/20 0.46
MAP3K10 Q02779 1/20 0.46
DMPK Q09013 1/20 0.46
EPHA7 Q15375 1/20 0.46

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
SCHEMBL18403303 0.88 MAP3K12 (0.69) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19921686 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL15890068 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388084 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18685636 0.81 MAP3K12 (0.71) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18685602 0.80 MAP3K12 (0.71) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18403264 0.73 MAP3K12 (0.62) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18685606 0.73 MAP3K12 (0.69) MAP3K12
SCHEMBL17388017 0.73 MAP3K12 (1.00) MAP3K12
SCHEMBL19921709 0.73 MAP3K12 (1.00) MAP3K12

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