SCHEMBL22227603

SCHEMBL22227603

COCC1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCN(C(C)=O)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 1.00
▸ DLK1 P80370 1/20 0.65

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
SCHEMBL16220439 1.00 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220461 0.92 MAP3K12 (0.84) MAP3K12
SCHEMBL16220061 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL16220234 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL16220283 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL16220036 0.87 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220384 0.87 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220063 0.87 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL22239452 0.84 MAP3K12 (0.85) MAP3K12DLK1
SCHEMBL16220344 0.84 MAP3K12 (0.77) 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 claimed
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