SCHEMBL7317680

SCHEMBL7317680

CCc1nn(C2CCCC2)c2nc(-c3ccnc(Cl)c3)nc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.38
PIK3CD O00329 14/20 0.38
PIK3CA P42336 14/20 0.38
PIK3CB P42338 14/20 0.38
PIK3CG P48736 14/20 0.38
PRKDC P78527 14/20 0.38
ABL1 P00519 14/20 0.38
EGFR P00533 13/20 0.38
HCK P08631 13/20 0.38
MTOR P42345 13/20 0.38
EPHB4 P54760 13/20 0.38
KDR P35968 12/20 0.38
PI4KB Q9UBF8 8/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 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
SCHEMBL7312223 0.83 TLR9 (0.39) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7321184 0.82 PIK3CD (0.40) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7307567 0.78 SIGMAR1 (0.43) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7307551 0.78 SRC (0.34) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9081191 0.77 PDE4A (0.36) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7312127 0.74 PDE5A (0.42) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL863767 0.73 RET (0.44) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7315963 0.73 PIK3CD (0.38) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7320063 0.73 EGFR (0.39) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7313010 0.72 EGFR (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed