SCHEMBL22239469

SCHEMBL22239469

C[S+]([O-])N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C3CCCC3)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.70

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
SCHEMBL22239494 0.98 MAP3K12 (0.70) MAP3K12
SCHEMBL22239487 0.90 MAP3K12 (0.69) MAP3K12
SCHEMBL16220497 0.84 MAP3K12 (0.78) MAP3K12
SCHEMBL16220310 0.83 MAP3K12 (0.82) MAP3K12
SCHEMBL16220108 0.83 MAP3K12 (1.00) MAP3K12
SCHEMBL16220113 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL22239526 0.81 MAP3K12 (0.75) MAP3K12
SCHEMBL16220457 0.81 MAP3K12 (1.00) MAP3K12
SCHEMBL16220229 0.81 MAP3K12 (0.86) MAP3K12
SCHEMBL16220311 0.81 MAP3K12 (0.82) 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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