SCHEMBL22227604

SCHEMBL22227604

CC(=O)N1CCC(c2cc(Nc3cc(C4CC4)ccn3)nc(N3CCCC3C)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.77

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
SCHEMBL16220464 1.00 MAP3K12 (0.77) MAP3K12
SCHEMBL16220395 0.89 MAP3K12 (0.92) MAP3K12
SCHEMBL15602409 0.87 MAP3K12 (0.59) MAP3K12
SCHEMBL16568693 0.87 MAP3K12 (0.59) MAP3K12
SCHEMBL16220036 0.87 MAP3K12 (1.00) MAP3K12
SCHEMBL16220063 0.87 MAP3K12 (1.00) MAP3K12
SCHEMBL16220384 0.87 MAP3K12 (1.00) MAP3K12
SCHEMBL16220406 0.85 MAP3K12 (1.00) MAP3K12
SCHEMBL16220089 0.85 MAP3K12 (0.79) MAP3K12
SCHEMBL17507038 0.85 MAP3K12 (0.79) 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 3 patents. 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
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 — — EP disclosed
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 — — EP disclosed
Send feedback