SCHEMBL28560936

SCHEMBL28560936

Cn1nccc1-c1nc2cnccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 7/20 0.43
LATS2 Q9NRM7 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MYC P01106 3/20 0.39
TGFBR1 P36897 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
COMT P21964 1/20 0.36

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
SCHEMBL28567194 0.79 MYC (0.39) NPC1RAB9AKDM4EMYCHRH3
SCHEMBL30470883 0.77 SMN1; SMN2 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24364904 0.77 SMN1; SMN2 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28575534 0.75 MAPT (0.45) LATS1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28567297 0.74 PIK3CD (0.41) LATS1LATS2PIK3CDPIK3CAPIK3CB
SCHEMBL23458507 0.72 RAB9A (0.68) PIK3CDPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL28570235 0.72 CYP2A6 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28566773 0.70 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL24365639 0.70 SNCA (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29606206 0.69 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1LMNA

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