SCHEMBL6628042

SCHEMBL6628042

C[C@@H]1CN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)C[C@@H](C)O1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.77
PIK3CA P42336 4/20 0.50
PIK3CD O00329 4/20 0.50
PIK3CG P48736 3/20 0.50
LCK P06239 1/20 0.47
MTOR P42345 3/20 0.47
PIK3R1 P27986 2/20 0.47
PDCD1 Q15116 5/20 0.46
CD274 Q9NZQ7 5/20 0.46
CHEK1 O14757 4/20 0.46
ATR Q13535 4/20 0.46
ATRIP Q8WXE1 4/20 0.46
PIK3C2B O00750 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL6625690 1.00 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6625695 1.00 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6628039 1.00 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL7784942 0.92 PIK3CB (0.61) PIK3CBPIK3CAMTORPDCD1CD274
SCHEMBL6624104 0.92 PIK3CB (0.61) PIK3CBPIK3CAMTORPDCD1CD274
SCHEMBL6623682 0.90 PIK3CB (0.76) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6626217 0.88 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDLCKMTOR
SCHEMBL6626223 0.88 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDLCKMTOR
SCHEMBL6623928 0.88 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDLCKMTOR
SCHEMBL6623933 0.88 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDLCKMTOR

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
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