SCHEMBL30635481

SCHEMBL30635481

Cn1c(=O)c(=O)[nH]c2ncc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
FYN P06241 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL1585845 0.83 HSD17B10 (0.53) HSD17B10AURKADAPK3JAK2PRKD3
SCHEMBL29705394 0.83 HSD17B10 (0.53) HSD17B10AURKADAPK3JAK2PRKD3
SCHEMBL23416650 0.82 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL30635098 0.81 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ADORA2A
SCHEMBL29712818 0.81 GRIA1 (0.53) HSD17B10GRIA1GRIA2GRIA3GRIA4
SCHEMBL24478118 0.81 GRIA1 (0.53) HSD17B10GRIA1GRIA2GRIA3GRIA4
SCHEMBL20703796 0.79 PDE4D (0.41) HSD17B10AURKADAPK3JAK2PRKD3
SCHEMBL30635505 0.77 GRIN1 (0.40) GRIA1GRIA2GRIA3GRIA4ADORA2A
SCHEMBL6073334 0.76 ADORA2A (0.39) HSD17B10AURKADAPK3JAK2PRKD3
SCHEMBL29712821 0.75 SCN9A (0.37) AURKACDK8CDK9GRIA1GRIA2

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-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed