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Sugi Predict / Compounds / SCHEMBL19921642

SCHEMBL19921642

SCHEMBL19921642

CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1[C@@H]1[C@@H]2CN(C3COC3)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 1.00
▸ DLK1 P80370 3/20 1.00
▸ MAP3K13 O43283 1/20 0.62
▸ STK16 O75716 1/20 0.62
▸ PAK4 O96013 1/20 0.62
▸ NTRK1 P04629 1/20 0.62
▸ FLT3 P36888 1/20 0.62
▸ MAP3K9 P80192 1/20 0.62
▸ MAP3K10 Q02779 1/20 0.62

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
SCHEMBL17388020 1.00 MAP3K12 (1.00) MAP3K12DLK1MAP3K13STK16PAK4
SCHEMBL15890043 1.00 MAP3K12 (1.00) MAP3K12DLK1MAP3K13STK16PAK4
SCHEMBL15882678 0.91 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL17413141 0.88 MAP3K12 (0.78) MAP3K12DLK1
SCHEMBL15882480 0.87 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921631 0.85 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921715 0.85 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL17388092 0.85 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15890036 0.85 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15890002 0.84 MAP3K12 (1.00) MAP3K12DLK1MAP3K13STK16PAK4

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