SCHEMBL19910282

SCHEMBL19910282

C=C(C)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 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
SCHEMBL19910126 0.91 MAP3K12 (0.56) MAP3K12
SCHEMBL15602434 0.89 MAP3K12 (0.75) MAP3K12
SCHEMBL16568100 0.89 MAP3K12 (0.75) MAP3K12
SCHEMBL19910230 0.85 MAP3K12 (0.58) MAP3K12
SCHEMBL15535046 0.84 MAP3K12 (0.79) MAP3K12
SCHEMBL19910168 0.84 MAP3K12 (0.61) MAP3K12
SCHEMBL15602533 0.84 MAP3K12 (0.61) MAP3K12
SCHEMBL16568375 0.84 MAP3K12 (0.61) MAP3K12
SCHEMBL19910075 0.84 MAP3K12 (0.57) MAP3K12
SCHEMBL15602421 0.84 MAP3K12 (0.70) 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
Send feedback