SCHEMBL31344339

SCHEMBL31344339

Cc1nnc2c(Br)cc3cnc(S(C)(=O)=O)nc3n12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL29357882 0.76 WEE1 (0.39)
SCHEMBL2265749 0.76 WEE1 (0.39)
SCHEMBL31344303 0.75 HASPIN (0.32) LMNA
SCHEMBL31344326 0.75 SIK2 (0.36) LMNA
SCHEMBL29742375 0.74
SCHEMBL31344323 0.73
SCHEMBL23328263 0.71 FGFR1 (0.41)
SCHEMBL22191154 0.70 CDK4 (0.33)
SCHEMBL22190967 0.70 ALDH1A1 (0.44) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL29353857 0.70 ALDH1A1 (0.44) NPC1ALDH1A1TP53MAPTXBP1

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-2025043350-A1 TRIAZOLOPYRIDOPYRIMIDINE AND DIHYDROIMIDAZOPYRIDOPYRIMIDINE DERIVATIVES AS INHIBITORS OF THE GCN2 KINASE, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2025-03-06 WO disclosed