SCHEMBL22239496

SCHEMBL22239496

Cc1nc(Nc2cc(C(N)=O)ccn2)cc(C2CCCN(C=O)C2)n1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.77

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
SCHEMBL16220201 0.87 MAP3K12 (1.00) MAP3K12
SCHEMBL22239501 0.86 MAP3K12 (0.70) MAP3K12
SCHEMBL22239468 0.82 MAP3K12 (0.72) MAP3K12
SCHEMBL16220167 0.81 MAP3K12 (0.66) MAP3K12
SCHEMBL16220378 0.78 MAP3K12 (1.00) MAP3K12
SCHEMBL16220380 0.76 MAP3K12 (1.00) MAP3K12
SCHEMBL22137473 0.75 MAP3K12 (1.00) MAP3K12
SCHEMBL16220381 0.75 MAP3K12 (1.00) MAP3K12
SCHEMBL16220057 0.75 MAP3K12 (0.83) MAP3K12
SCHEMBL16220200 0.74 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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