SCHEMBL22227611

SCHEMBL22227611

COc1cc(C)ccc1C(=O)N1CCC[C@H](c2cc(Nc3cc(C)ccn3)nc(C)n2)C1

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
SCHEMBL16220205 1.00 MAP3K12 (1.00) MAP3K12
SCHEMBL16220195 0.91 MAP3K12 (0.84) MAP3K12
SCHEMBL17507039 0.89 MAP3K12 (1.00) MAP3K12
SCHEMBL16220203 0.88 MAP3K12 (0.79) MAP3K12
SCHEMBL16220199 0.85 MAP3K12 (0.75) MAP3K12
SCHEMBL17507069 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL16220204 0.83 MAP3K12 (0.83) MAP3K12
SCHEMBL16220378 0.83 MAP3K12 (1.00) MAP3K12
SCHEMBL16220177 0.82 MAP3K12 (0.70) MAP3K12
SCHEMBL16220057 0.82 MAP3K12 (0.83) 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-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 — — EP disclosed
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