SCHEMBL28820129

SCHEMBL28820129

NCCc1nc2cccc(Cl)c2c(=O)n1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PIK3R1 P27986 3/20 0.38
PDE10A Q9Y233 1/20 0.37
PIK3R2 O00459 6/20 0.37
PARP1 P09874 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PIK3CG P48736 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
SCHEMBL28019829 0.82 LMNA (0.50) PIK3CDLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL14992951 0.79 PIK3CD (0.56) PIK3CDSMN1; SMN2PIK3R1PDE10AKDM4E
SCHEMBL28103798 0.76 PIK3CD (0.47) PIK3CDPIK3R1PIK3CG
SCHEMBL17718344 0.76 PIK3CD (0.47) PIK3CDPIK3R1PIK3CG
SCHEMBL28103810 0.76 PIK3CD (0.43) PIK3CDLMNASMN1; SMN2PIK3R1PIK3CG
SCHEMBL28103808 0.76 PIK3CD (0.43) PIK3CDLMNASMN1; SMN2PIK3R1PIK3CG
SCHEMBL15819168 0.75 PIK3CD (0.51) PIK3CDSMN1; SMN2PIK3R1PDE10APIK3R2
SCHEMBL28820176 0.75 NPC1 (0.44) LMNASMN1; SMN2PDE10AKDM4EALDH1A1
SCHEMBL15819247 0.73 PIK3CD (0.52) PIK3CDPIK3R1PDE10APIK3R2PIK3CG
SCHEMBL17262976 0.73 PIK3CD (0.44) PIK3CDPIK3R2PIK3CG

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-104768952-A PI3K inhibitors KBP BIOSCIENCES CO LTD 2015-07-08 CN disclosed