SCHEMBL29978005

SCHEMBL29978005

Cc1cc(F)c(C(=O)Nc2nccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.78
MAP3K6 O95382 1/20 0.78

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
SCHEMBL28391555 1.00 MAP3K5 (0.78) MAP3K5MAP3K6
SCHEMBL28391140 0.89 MAP3K5 (0.77) MAP3K5MAP3K6
SCHEMBL28907666 0.88 MAP3K5 (0.76) MAP3K5MAP3K6
SCHEMBL29978022 0.88 MAP3K5 (0.76) MAP3K5MAP3K6
Selonsertib SCHEMBL14672984 0.88 MAP3K5 (1.00) MAP3K5MAP3K6
Selonsertib SCHEMBL29977277 0.88 MAP3K5 (1.00) MAP3K5MAP3K6
SCHEMBL28391320 0.87 MAP3K5 (0.80) MAP3K5MAP3K6
Selonsertib SCHEMBL17873132 0.87 MAP3K5 (0.98) MAP3K5MAP3K6
SCHEMBL29977901 0.87 MAP3K5 (0.80) MAP3K5MAP3K6
Selonsertib SCHEMBL17873174 0.86 MAP3K5 (0.96) MAP3K5MAP3K6

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
CN-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed