SCHEMBL12192

SCHEMBL12192

Cn1nc(-c2cc(Cl)cc(N=O)c2)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.53
PIK3CA P42336 12/20 0.53
PIK3CB P42338 12/20 0.53
PIK3CG P48736 12/20 0.53
PRKDC P78527 12/20 0.53
ABL1 P00519 10/20 0.52
EGFR P00533 10/20 0.52
HCK P08631 10/20 0.52
SRC P12931 10/20 0.52
MTOR P42345 9/20 0.52
EPHB4 P54760 9/20 0.52
KDR P35968 9/20 0.52
PI4KB Q9UBF8 2/20 0.51
NUDT14 O95848 1/20 0.48
NUDT5 Q9UKK9 1/20 0.48
RIPK1 Q13546 2/20 0.45
BTK Q06187 2/20 0.44
DAPK3 O43293 1/20 0.44
RIPK2 O43353 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL11807 0.82 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12123331 0.82 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129879 0.81 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019672 0.78 SRC (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30320627 0.73 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21436859 0.73 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129505 0.73 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917522 0.72 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917458 0.72 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917265 0.72 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed