SCHEMBL22239533

SCHEMBL22239533

CN/C=C(\C=N)c1nc(Nc2cc(C)ccn2)cc(C2CCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.57

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
SCHEMBL16220153 0.95 MAP3K12 (0.52) MAP3K12
SCHEMBL16220481 0.90 MAP3K12 (0.52) MAP3K12
SCHEMBL16220160 0.81 MAP3K12 (0.66) MAP3K12
SCHEMBL16220150 0.81 MAP3K12 (0.66) MAP3K12
SCHEMBL16220046 0.79 MAP3K12 (0.71) MAP3K12
SCHEMBL16220155 0.78 MAP3K12 (0.66) MAP3K12
SCHEMBL22239571 0.77 MAP3K12 (0.72) MAP3K12
SCHEMBL22239518 0.76 MAP3K12 (0.57) MAP3K12
SCHEMBL16220215 0.73 MAP3K12 (0.96) MAP3K12
SCHEMBL16220118 0.73 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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