SCHEMBL7316083

SCHEMBL7316083

Cc1nn(C2CCC2)c2nc(-c3ccncc3)nc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.40
PTK6 Q13882 1/20 0.39
CFTR P13569 3/20 0.38
PIK3CD O00329 5/20 0.36
PIK3CA P42336 5/20 0.36
PIK3CB P42338 5/20 0.36
PIK3CG P48736 5/20 0.36
PRKDC P78527 5/20 0.36
KDR P35968 5/20 0.36
ABL1 P00519 4/20 0.36
EGFR P00533 4/20 0.36
HCK P08631 4/20 0.36
SRC P12931 4/20 0.36
MTOR P42345 4/20 0.36
EPHB4 P54760 4/20 0.36
PI4KB Q9UBF8 1/20 0.36
RET P07949 2/20 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
SCHEMBL7308816 0.85 KDR (0.39) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL7310219 0.84 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7315963 0.84 PIK3CD (0.38) KDM4EALDH1A1HSD17B10PIK3CDPIK3CA
SCHEMBL7309931 0.81 S1PR1 (0.37) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL7312205 0.79 PIK3CD (0.35) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7319490 0.77 MEN1 (0.46) ALDH1A1HPGDPIK3CDPIK3CAPIK3CB
SCHEMBL7312745 0.77 HPGD (0.45) ALDH1A1HSD17B10HPGD
SCHEMBL7310653 0.73 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGMTOR
SCHEMBL147829 0.72 GRIA1 (0.56) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL7316090 0.71 HPGD (0.38) KDM4EHPGD

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