SCHEMBL16220407

SCHEMBL16220407

COCCC(=O)N1CCCC(c2cc(Nc3cc(C)ccn3)nc(C(C)N3CCC(c4cc(Nc5cc(C(F)(F)F)ccn5)nc(N5CCCC5C)n4)C3)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.58

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
SCHEMBL16220424 0.83 MAP3K12 (0.69) MAP3K12
SCHEMBL16220305 0.81 MAP3K12 (0.59) MAP3K12
SCHEMBL16220448 0.80 MAP3K12 (0.67) MAP3K12
SCHEMBL16220417 0.79 MAP3K12 (0.74) MAP3K12
SCHEMBL16220226 0.78 MAP3K12 (0.77) MAP3K12
SCHEMBL16220383 0.78 MAP3K12 (0.90) MAP3K12
SCHEMBL16220138 0.78 MAP3K12 (0.73) MAP3K12
SCHEMBL16220324 0.76 MAP3K12 (0.92) MAP3K12
SCHEMBL16220352 0.76 MAP3K12 (0.93) MAP3K12
SCHEMBL16220479 0.76 MAP3K12 (0.75) 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
WO-2014177524-A1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 — — WO disclosed
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