SCHEMBL6625296

SCHEMBL6625296

O=C1CCN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)CC1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 10/20 0.83
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
PIK3CD O00329 4/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CG P48736 3/20 0.50
PIK3C2B O00750 1/20 0.47
PIK3R1 P27986 1/20 0.47
MTOR P42345 1/20 0.47
LCK P06239 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
HTT P42858 2/20 0.44
CHEK1 O14757 2/20 0.44
ATR Q13535 2/20 0.44
PDCD1 Q15116 2/20 0.44
ATRIP Q8WXE1 2/20 0.44
CD274 Q9NZQ7 2/20 0.44

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
SCHEMBL6625427 0.91 PIK3CB (1.00) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6629606 0.91 PIK3CB (1.00) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6624863 0.90 PIK3CB (0.66) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL3594472 0.86 PIK3CB (0.90) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6626404 0.85 PIK3CB (0.87) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL20078072 0.85 PIK3CB (0.87) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL927196 0.85 PIK3CB (0.87) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6626263 0.84 PIK3CB (0.85) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6627240 0.84 PIK3CB (0.85) PIK3CBMKNK1MKNK2PIK3CDPIK3CA
SCHEMBL6625463 0.84 PIK3CB (0.85) PIK3CBMKNK1MKNK2PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221307-B1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-07-24 EP disclosed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
EP-1020462-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2004-02-11 EP disclosed
US-6251900-B1 Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-06-26 US disclosed
EP-1020462-A1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed