SCHEMBL30403137

SCHEMBL30403137

CCCc1cc(Br)c(C#N)nc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
CTSS P25774 4/20 0.37
KDM5A P29375 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM1 Q13255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL25188943 1.00 CTSK (0.37) CTSKCTSSKDM5AALDH1A1MAPK1
SCHEMBL30442601 0.74 MBOAT4 (0.35) MBOAT4MEN1KMT2AKDM4E
SCHEMBL25187828 0.74 MBOAT4 (0.35) MBOAT4MEN1KMT2AKDM4E
SCHEMBL25199463 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30401929 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25194933 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGRM1KDM4E
SCHEMBL9846221 0.70 CYP1A2 (0.49) CTSKCTSSKDM5AALDH1A1MEN1
SCHEMBL102958 0.68 CHEK1 (0.38) CTSKCTSS
SCHEMBL9846336 0.68 GAA (0.51) KDM5AALDH1A1MAPK1MEN1KMT2A
SCHEMBL28890273 0.67 ALDH1A1 (0.35) CTSKCTSSALDH1A1MAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4430022-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE Vigil Neuroscience, Inc. (US) 2024-09-18 EP disclosed
WO-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed