SCHEMBL22239480

SCHEMBL22239480

CCCC1CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCCN(C)C3)n2)CC(C)O1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.74

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
SCHEMBL22239477 0.92 MAP3K12 (0.66) MAP3K12
SCHEMBL16220488 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL16220105 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL19771661 0.83 MAP3K12 (0.74) MAP3K12
SCHEMBL16220524 0.81 MAP3K12 (0.92) MAP3K12
SCHEMBL16220281 0.81 MAP3K12 (0.70) MAP3K12
SCHEMBL16220512 0.81 MAP3K12 (1.00) MAP3K12
SCHEMBL16220442 0.80 MAP3K12 (1.00) MAP3K12
SCHEMBL22239453 0.79 MAP3K12 (0.69) MAP3K12
SCHEMBL16220432 0.78 MAP3K12 (0.76) 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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