SCHEMBL7308816

SCHEMBL7308816

Cc1nn(C2CCOC2)c2nc(-c3ccncc3)nc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.39
MTOR P42345 6/20 0.39
PIK3CA P42336 5/20 0.39
PIK3CD O00329 4/20 0.39
ABL1 P00519 4/20 0.39
EGFR P00533 4/20 0.39
HCK P08631 4/20 0.39
SRC P12931 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
EPHB4 P54760 4/20 0.39
PRKDC P78527 4/20 0.39
PI4KB Q9UBF8 4/20 0.39
CFTR P13569 4/20 0.39
SPR P35270 1/20 0.39
RET P07949 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7316083 0.85 KDM4E (0.46) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL7319490 0.73 MEN1 (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL7312745 0.73 HPGD (0.45) ALDH1A1HSD17B10HPGD
SCHEMBL7315963 0.72 PIK3CD (0.38) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL7310219 0.72 PIK3CD (0.38) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL7309931 0.70 S1PR1 (0.37) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL7312205 0.68 PIK3CD (0.35) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL7316090 0.67 HPGD (0.38) KDM4EHPGD
SCHEMBL24651098 0.66 RET (0.59) KDRMTORPIK3CAPIK3CDABL1
SCHEMBL31359455 0.65 KMT2A (0.57) KDRMTORPIK3CAPIK3CDABL1

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