SCHEMBL31356641

SCHEMBL31356641

Cc1cc(F)c(C(=O)O)cc1-n1cnc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 18/20 0.43
TTR P02766 1/20 0.36
MAP3K6 O95382 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36

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
SCHEMBL30432460 0.82 MAP3K5 (0.51) MAP3K5TTRMAP3K6
SCHEMBL20557216 0.82 MAP3K5 (0.51) MAP3K5TTRMAP3K6
SCHEMBL22473997 0.82 MAP3K5 (0.41) MAP3K5TTRMAP3K6
SCHEMBL31356583 0.81 MAP3K5 (0.51) MAP3K5MAP3K6
SCHEMBL22473942 0.81 MAP3K5 (0.50) MAP3K5MAP3K6
SCHEMBL15143877 0.80 MAP3K5 (0.65) MAP3K5MAP3K6
Water SCHEMBL30634013 0.79 MAP3K5 (0.64) MAP3K5MAP3K6
Water SCHEMBL28514353 0.79 MAP3K5 (0.64) MAP3K5MAP3K6
Hydrochloric Acid SCHEMBL29978298 0.79 MAP3K5 (0.64) MAP3K5MAP3K6
Hydrochloric Acid SCHEMBL15136406 0.79 MAP3K5 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259328-A1 INHIBITORS OF RIPK2 AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2024-12-19 WO disclosed