SCHEMBL6624867

SCHEMBL6624867

CC1(C)CN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)CCO1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.76
PIK3CA P42336 5/20 0.49
PIK3CD O00329 5/20 0.49
PIK3CG P48736 4/20 0.49
LCK P06239 2/20 0.46
MTOR P42345 2/20 0.44
PIK3R1 P27986 2/20 0.44
PIK3C2B O00750 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CHEK1 O14757 3/20 0.41
ATR Q13535 3/20 0.41
PDCD1 Q15116 3/20 0.41
ATRIP Q8WXE1 3/20 0.41
CD274 Q9NZQ7 3/20 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
SCHEMBL6624906 0.88 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDLCKMKNK1
SCHEMBL6625427 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6629606 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL20078072 0.83 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6627240 0.82 PIK3CB (0.85) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL3594472 0.82 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6624964 0.82 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL6626404 0.81 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL927196 0.81 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3CGLCK
SCHEMBL931986 0.81 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGLCK

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