SCHEMBL23997199

SCHEMBL23997199

Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1N

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.73
PIK3CD O00329 14/20 0.73
PIK3CA P42336 14/20 0.73
PIK3CB P42338 14/20 0.73
PIK3CG P48736 14/20 0.73
PRKDC P78527 14/20 0.73
ABL1 P00519 13/20 0.73
EGFR P00533 12/20 0.73
HCK P08631 12/20 0.73
MTOR P42345 12/20 0.73
EPHB4 P54760 12/20 0.73
KDR P35968 11/20 0.73
PI4KB Q9UBF8 5/20 0.73
NUDT14 O95848 1/20 0.58
NUDT5 Q9UKK9 1/20 0.58
AURKA O14965 1/20 0.53
IKBKE Q14164 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL130513 0.90 SRC (0.79) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13201532 0.89 PIK3CD (0.70) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21436578 0.85 PIK3CD (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320627 0.85 PIK3CD (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21436859 0.85 PIK3CD (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23917212 0.85 PIK3CD (0.79) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320603 0.85 PIK3CD (0.65) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL130595 0.84 PIK3CD (0.73) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23917200 0.84 PIK3CD (1.00) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13826003 0.83 SRC (0.68) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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-2021226547-A2 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. (US) 2021-11-11 WO disclosed