SCHEMBL7310653

SCHEMBL7310653

Nc1nc(-c2ccncc2)nc2c1cnn2C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
MTOR P42345 5/20 0.46
PDE9A O76083 6/20 0.42
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
S1PR1 P21453 2/20 0.39
PIK3CG P48736 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
GRM1 Q13255 1/20 0.39
PDE1C Q14123 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL7315963 0.75 PIK3CD (0.38) PIK3CAMTORPIK3CGMAPK14PIK3CD
SCHEMBL7310219 0.75 PIK3CD (0.38) PIK3CAMTORS1PR1PIK3CGPIK3CD
SCHEMBL7316083 0.73 KDM4E (0.46) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL7312205 0.73 PIK3CD (0.35) PIK3CAMTORPIK3CGMAPK14PIK3CD
SCHEMBL7309931 0.72 S1PR1 (0.37) PIK3CAMTORS1PR1PIK3CGPIK3CD
SCHEMBL7317167 0.72 HPGD (0.43) LATS1LATS2
SCHEMBL19362509 0.69 EGFR (0.59) PIK3CAMTORPIK3CGMAPK14PIK3CD
SCHEMBL29617733 0.69 EGFR (0.59) PIK3CAMTORPIK3CGMAPK14PIK3CD
SCHEMBL5805364 0.69 BTK (0.51) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL31037237 0.68 EGFR (0.58) PDE9A

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