SCHEMBL23048746

SCHEMBL23048746

CN(C)c1cc(F)c(Br)cc1-n1cc(C2CC2)nc1S

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL23865352 0.81 HCRTR1 (0.30)
SCHEMBL23865466 0.78 MAP3K5 (0.44) MAP3K5
SCHEMBL23048795 0.76 RAB9A (0.36) MAP3K5
SCHEMBL23865458 0.76 MAP3K5 (0.36) MAP3K5
SCHEMBL23048780 0.72 KDM1A (0.37)
SCHEMBL29977623 0.68 RORC (0.37) MAP3K5
SCHEMBL15135998 0.68 RORC (0.37) MAP3K5
SCHEMBL28602065 0.67
SCHEMBL21155474 0.65
SCHEMBL28380967 0.64 PDE4D (0.30)

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-3572412-B1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-03 EP disclosed