SCHEMBL19937751

SCHEMBL19937751

Nc1ncc(-c2ccn(C3CCCC3)n2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 19/20 0.53
TNF P01375 1/20 0.47

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 0.98 MAP3K12 (0.55) MAP3K12TNF
SCHEMBL19937787 0.95 MAP3K12 (0.54) MAP3K12TNF
SCHEMBL19937632 0.82 MAP3K12 (0.54) MAP3K12
SCHEMBL19937757 0.81 MAP3K12 (0.54) MAP3K12
SCHEMBL19937762 0.81 MAP3K12 (0.52) MAP3K12
SCHEMBL19937624 0.80 MAP3K12 (0.54) MAP3K12
SCHEMBL19937663 0.80 MAP3K12 (0.50) MAP3K12
SCHEMBL19937789 0.79 INSR (0.42) MAP3K12
SCHEMBL19937610 0.79 MAP3K12 (0.51) MAP3K12
SCHEMBL19937634 0.78 MAP3K11 (0.52) 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
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed