SCHEMBL6626701

SCHEMBL6626701

OC1CCCN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.72
PIK3CD O00329 8/20 0.48
PIK3CA P42336 7/20 0.48
PIK3CG P48736 7/20 0.48
LCK P06239 1/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PIK3C2B O00750 1/20 0.42
PIK3R1 P27986 1/20 0.42
MTOR P42345 1/20 0.42
CHEK1 O14757 2/20 0.42
ATR Q13535 2/20 0.42
PDCD1 Q15116 2/20 0.42
ATRIP Q8WXE1 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL6625199 0.89 PIK3CB (0.58) PIK3CBPIK3CDLCKJAK2JAK3
SCHEMBL3589069 0.88 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL3594472 0.85 PIK3CB (0.90) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6629606 0.85 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625427 0.85 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL1430273 0.81 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL3595938 0.81 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6626383 0.81 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6623682 0.81 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAPIK3CGLCK
SCHEMBL6625306 0.80 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGLCK

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 4 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
CN-1271355-A Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYADKU KOGYO K K (JP) 2000-10-25 CN 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