SCHEMBL6626404

SCHEMBL6626404

Clc1nc(N2CCOCC2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.87
PIK3CD O00329 4/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CG P48736 3/20 0.52
PIK3C2B O00750 1/20 0.49
PIK3R1 P27986 1/20 0.49
MTOR P42345 1/20 0.49
LCK P06239 1/20 0.48
PTGS2 P35354 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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 0.93 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL6629606 0.93 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL3594472 0.88 PIK3CB (0.90) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL20078072 0.87 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL927196 0.87 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL6625463 0.86 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL6627240 0.86 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL6626263 0.86 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL6625296 0.85 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B
SCHEMBL931986 0.84 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C2B

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 5 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
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