SCHEMBL22227605

SCHEMBL22227605

CCC1CN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCN(CC=O)C3)n2)CCO1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.82
▸ DLK1 P80370 1/20 0.52

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
SCHEMBL16220442 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL16220092 0.89 MAP3K12 (0.80) MAP3K12DLK1
SCHEMBL16220083 0.88 MAP3K12 (0.79) MAP3K12DLK1
SCHEMBL16220110 0.88 MAP3K12 (0.78) MAP3K12DLK1
SCHEMBL16220436 0.86 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL22239453 0.82 MAP3K12 (0.69) MAP3K12DLK1
SCHEMBL22239454 0.79 MAP3K12 (0.71) MAP3K12DLK1
SCHEMBL16220151 0.78 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL16220397 0.78 MAP3K12 (0.90) MAP3K12DLK1
SCHEMBL16220287 0.77 MAP3K12 (0.74) MAP3K12DLK1

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 claimed
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