SCHEMBL22239478

SCHEMBL22239478

CC(F)(F)CNc1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCN(C(=O)C3(C)CC3)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.54
▸ 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
SCHEMBL22239475 0.86 MAP3K12 (0.55) MAP3K12
SCHEMBL22239439 0.84 MAP3K12 (0.55) MAP3K12
SCHEMBL16220431 0.82 MAP3K12 (0.78) MAP3K12DLK1
SCHEMBL16220360 0.81 MAP3K12 (0.82) MAP3K12DLK1
SCHEMBL17507001 0.78 MAP3K12 (0.73) MAP3K12DLK1
SCHEMBL16220364 0.77 MAP3K12 (0.83) MAP3K12DLK1
SCHEMBL16220363 0.74 MAP3K12 (0.78) MAP3K12DLK1
SCHEMBL16220230 0.74 MAP3K12 (0.83) MAP3K12DLK1
SCHEMBL16220144 0.73 MAP3K12 (0.76) MAP3K12DLK1
SCHEMBL16220146 0.73 MAP3K12 (0.78) 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 disclosed
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