SCHEMBL22239452

SCHEMBL22239452

CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.85
▸ DLK1 P80370 1/20 0.79

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
SCHEMBL22239529 0.93 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL16220393 0.92 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220469 0.91 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220275 0.90 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL22239451 0.90 MAP3K12 (0.84) MAP3K12DLK1
SCHEMBL16220241 0.89 MAP3K12 (0.83) MAP3K12DLK1
SCHEMBL16220397 0.89 MAP3K12 (0.90) MAP3K12DLK1
SCHEMBL16220276 0.89 MAP3K12 (0.83) MAP3K12DLK1
SCHEMBL16220356 0.89 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL16220036 0.89 MAP3K12 (1.00) 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
Send feedback