SCHEMBL24327941

SCHEMBL24327941

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.37
CHEK1 O14757 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 1/20 0.34
MAPK1 P28482 3/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL28724022 0.86 CCNB2 (0.32) AXLMAPK1CCNT1CCNB2CCNE2
SCHEMBL24327260 0.85 LRRK2 (0.45) AXLCHEK1PIK3CDPIK3CAPIK3CB
SCHEMBL24327354 0.84 CNR1 (0.43) AXLCHEK1PIK3CDPIK3CAPIK3CB
SCHEMBL24327883 0.84 TEK (0.46) AXLALOX5APCDK2TYK2
SCHEMBL29498947 0.80 MAPK1 (0.51) CHEK1ALOX5APFEN1MAPK1
SCHEMBL24327885 0.80 MAPK1 (0.51) CHEK1ALOX5APFEN1MAPK1
SCHEMBL24327872 0.79 KCNH2 (0.46) PIK3CAPI4KBCCNT1CCNB2CCNE2
SCHEMBL28724009 0.75 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23430123 0.73 GPR55 (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28724038 0.72 TYK2 (0.39) CCNT1CCNB2CCNE2CDK1CCNB1

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