SCHEMBL31674886

SCHEMBL31674886

Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(C3CCOC3)n2)cc1OC(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 1.00

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
SCHEMBL16224511 1.00 MAP3K12 (1.00) MAP3K12
SCHEMBL22098591 0.94 MAP3K12 (0.88) MAP3K12
SCHEMBL31674856 0.92 MAP3K12 (1.00) MAP3K12
SCHEMBL16224692 0.92 MAP3K12 (1.00) MAP3K12
SCHEMBL20147294 0.89 MAP3K12 (0.90) MAP3K12
SCHEMBL16224543 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL31674926 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL20340947 0.84 MAP3K12 (0.73) MAP3K12
SCHEMBL22098555 0.84 MAP3K12 (0.88) MAP3K12
SCHEMBL20147860 0.83 MAP3K12 (0.80) 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-2991978-B1 BIHETEROARYL COMPOUNDS AND USES THEREOF F HOFFMANN LA ROCHE SA (CH) 2025-08-20 — — EP claimed
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