SCHEMBL3229939

SCHEMBL3229939

COc1ccc(-c2ccn3nc(N)nc3c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.50
PIK3CD O00329 11/20 0.48
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PIK3CA P42336 3/20 0.46
PDE10A Q9Y233 1/20 0.45
PAK4 O96013 1/20 0.45
JAK1 P23458 1/20 0.45
PIK3CB P42338 1/20 0.45
CSNK1A1 P48729 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TNIK Q9UKE5 1/20 0.43
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL935790 0.83 PIK3CD (0.60) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL29903062 0.80 JAK2 (0.57) PIK3CGPIK3CDPIK3CAPAK4JAK1
SCHEMBL12909575 0.79 DHFR (0.51) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
Hydrochloric Acid SCHEMBL937520 0.78 DHFR (0.50) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL20641333 0.75 PIK3CG (0.44) PIK3CGPIK3CDKDM4EPIK3CAPAK4
SCHEMBL937347 0.74 PDE10A (0.51) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL25440285 0.74 PIK3CG (0.40) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL29497987 0.74 PIK3CG (0.40) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL936518 0.74 PIK3CG (0.51) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA
SCHEMBL936333 0.74 PIK3CG (0.51) PIK3CGPIK3CDKDM4EHSD17B10PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO claimed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed