SCHEMBL19910217

SCHEMBL19910217

Cc1ccnc(Nc2cc(C3CCN(C)CC3)cc(N3CCCC3C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.53

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
SCHEMBL19910077 0.91 MAP3K12 (0.49) MAP3K12
SCHEMBL19910094 0.91 MAP3K12 (0.49) MAP3K12
SCHEMBL16568193 0.89 MAP3K12 (0.57) MAP3K12
SCHEMBL15602425 0.89 MAP3K12 (0.57) MAP3K12
SCHEMBL16568299 0.88 MAP3K12 (0.59) MAP3K12
SCHEMBL15602423 0.88 MAP3K12 (0.59) MAP3K12
SCHEMBL16573756 0.87 MAP3K12 (0.58) MAP3K12
SCHEMBL19910095 0.83 MAP3K12 (0.46) MAP3K12
SCHEMBL16220531 0.82 MAP3K12 (0.75) MAP3K12
SCHEMBL15602409 0.81 MAP3K12 (0.59) 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-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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