SCHEMBL19921685

SCHEMBL19921685

Nc1ncc(-c2cc([C@@H]3[C@@H]4CN(C5COC5)C[C@@H]43)n(CC3CCC3)n2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 1.00
MAP3K13 O43283 1/20 0.93
NTRK1 P04629 1/20 0.93
CSF1R P07333 1/20 0.93
AXL P30530 1/20 0.93
FLT3 P36888 1/20 0.93
MAP3K9 P80192 1/20 0.93
MAP3K10 Q02779 1/20 0.93
DMPK Q09013 1/20 0.93
EPHA7 Q15375 1/20 0.93

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
SCHEMBL17388002 1.00 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL15890019 1.00 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL29728248 0.96 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL15889987 0.96 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388052 0.96 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19921666 0.96 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388053 0.96 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388013 0.88 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388014 0.88 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388010 0.88 MAP3K12 (1.00) 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 2 patents. 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 claimed
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed