SCHEMBL28575556

SCHEMBL28575556

Cn1cc(-c2nc3c[n+]([O-])ccc3s2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
MYC P01106 1/20 0.39
MAPK1 P28482 1/20 0.36
CHEK1 O14757 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MET P08581 4/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 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
SCHEMBL28560814 0.76 NPC1 (0.41) MYCPKMKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28561269 0.76 KDM4E (0.46) PKMKDM4EAPOBEC3AAPOBEC3GNPC1
SCHEMBL28575534 0.75 MAPT (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28567297 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28575546 0.75 MYC (0.38) MYCPKMKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28567175 0.75 KDM4E (0.57) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28564679 0.74 MYC (0.37) MYC
SCHEMBL28575528 0.73 SMN1; SMN2 (0.61) PKMKDM4ENPC1RAB9AALDH1A1
SCHEMBL28563714 0.72 MYC (0.38) MYCPKMKDM4EAPOBEC3AAPOBEC3G
SCHEMBL28571748 0.71 MYC (0.40) MYCPKMKDM4EAPOBEC3AAPOBEC3G

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
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed