SCHEMBL24327883

SCHEMBL24327883

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)c[n+](N)c2N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.46
EPHB4 P54760 1/20 0.46
NPBWR1 P48145 1/20 0.42
TLR8 Q9NR97 1/20 0.40
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
KCNH2 Q12809 4/20 0.37
AXL P30530 1/20 0.37
RPS6KB1 P23443 4/20 0.37
KDR P35968 1/20 0.36
TYK2 P29597 1/20 0.35
ALOX5AP P20292 1/20 0.35
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL28724038 0.86 TYK2 (0.39) TEKEPHB4NPBWR1TLR8FGFR2
SCHEMBL24327260 0.85 LRRK2 (0.45) TEKEPHB4TLR8FGFR2FGFR3
SCHEMBL24327872 0.85 KCNH2 (0.46) FGFR2FGFR3KCNH2CDK2
SCHEMBL24327354 0.84 CNR1 (0.43) TLR8FGFR3KCNH2AXLKDR
SCHEMBL24327941 0.84 AXL (0.37) AXLTYK2ALOX5APCDK2
SCHEMBL24327773 0.80 KCNH2 (0.55) TEKEPHB4NPBWR1FGFR2FGFR3
SCHEMBL24328691 0.74 EPHB4 (0.46) TEKEPHB4NPBWR1TLR8FGFR2
SCHEMBL29498914 0.74 EPHB4 (0.46) TEKEPHB4NPBWR1TLR8FGFR2
SCHEMBL28761425 0.74 CHEK1 (0.45) TEKEPHB4NPBWR1FGFR2FGFR3
SCHEMBL28724022 0.72 CCNB2 (0.32) FGFR2FGFR3AXLTYK2CDK2

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-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed