SCHEMBL22239526

SCHEMBL22239526

C[C@@H]1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CN([S+](C)[O-])C2)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.75

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
SCHEMBL16220368 0.86 MAP3K12 (0.89) MAP3K12
SCHEMBL16220367 0.86 MAP3K12 (1.00) MAP3K12
SCHEMBL16220486 0.86 MAP3K12 (1.00) MAP3K12
SCHEMBL17507066 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL17507067 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL17507060 0.84 MAP3K12 (1.00) MAP3K12
SCHEMBL17507058 0.84 MAP3K12 (1.00) MAP3K12
SCHEMBL16220220 0.84 MAP3K12 (1.00) MAP3K12
SCHEMBL16220145 0.84 MAP3K12 (0.83) MAP3K12
SCHEMBL16220221 0.84 MAP3K12 (1.00) 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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