SCHEMBL22239456

SCHEMBL22239456

FC(F)(F)c1ccnc(Nc2cc(C3CCNCC3)nc(N3CCCC3)n2)c1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.91

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
SCHEMBL16220048 0.99 MAP3K12 (0.89) MAP3K12
SCHEMBL16220122 0.95 MAP3K12 (1.00) MAP3K12
SCHEMBL16220124 0.94 MAP3K12 (0.98) MAP3K12
SCHEMBL16220127 0.91 MAP3K12 (0.80) MAP3K12
SCHEMBL16220262 0.91 MAP3K12 (0.90) MAP3K12
SCHEMBL16220125 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL16220376 0.89 MAP3K12 (0.98) MAP3K12
SCHEMBL16220134 0.89 MAP3K12 (0.92) MAP3K12
SCHEMBL16220128 0.88 MAP3K12 (0.86) MAP3K12
SCHEMBL22239508 0.88 MAP3K12 (0.91) 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