SCHEMBL28575534

SCHEMBL28575534

Cn1cc(-c2nc3cnccc3s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MET P08581 1/20 0.43
LATS1 O95835 1/20 0.42
FYN P06241 1/20 0.41
MYC P01106 2/20 0.41
DYRK1A Q13627 1/20 0.41
CHEK1 O14757 1/20 0.41
MAPK1 P28482 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
FGFR3 P22607 1/20 0.38

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
SCHEMBL23458507 0.77 RAB9A (0.68) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29606391 0.77 L3MBTL1 (0.45) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28575556 0.75 PIK3CD (0.43) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28560936 0.75 LATS1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28561310 0.74 NPC1 (0.54) MAPTNPC1RAB9AKDM4EMYC
SCHEMBL26833283 0.74 RAB9A (0.64) MAPTNPC1RAB9AKDM4E
SCHEMBL29606206 0.74 RAB9A (0.64) MAPTNPC1RAB9AKDM4E
SCHEMBL28570235 0.73 CYP2A6 (0.48) MAPTNPC1RAB9AKDM4EMYC
SCHEMBL20519963 0.73 RAB9A (0.76) PIK3CDPIK3CAPI4KAPI4KBNPC1
SCHEMBL17984875 0.72 APP (0.53) NPC1RAB9AKDM4E

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