SCHEMBL19928346

SCHEMBL19928346

O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(N3CCN(C4CC4)CC3)C2)cn1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.92
AKT1 P31749 12/20 0.92

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
SCHEMBL16818085 0.96 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL16818025 0.95 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL19928345 0.94 MAP3K5 (0.89) MAP3K5AKT1
SCHEMBL16818037 0.93 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL16818040 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15811892 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15811987 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL15812002 0.91 MAP3K5 (1.00) MAP3K5AKT1
SCHEMBL19927936 0.90 MAP3K5 (0.75) MAP3K5AKT1
SCHEMBL16818006 0.90 MAP3K5 (1.00) MAP3K5AKT1

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
US-9908875-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-03-06 US disclosed