SCHEMBL6628458

SCHEMBL6628458

CCC1CN(c2nc(N3CCOCC3)nc(-n3cnc4ccccc43)n2)CCO1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 10/20 0.71
LCK P06239 3/20 0.47
PIK3CD O00329 4/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CHEK1 O14757 3/20 0.42
ATR Q13535 3/20 0.42
PDCD1 Q15116 3/20 0.42
ATRIP Q8WXE1 3/20 0.42
CD274 Q9NZQ7 3/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3R1 P27986 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL6626931 0.90 PIK3CB (0.71) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6623519 0.90 PIK3CB (0.71) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6625211 0.90 PIK3CB (0.71) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6625306 0.90 PIK3CB (0.71) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6625213 0.89 PIK3CB (0.57) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6623682 0.86 PIK3CB (0.76) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6629606 0.84 PIK3CB (1.00) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6625427 0.84 PIK3CB (1.00) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6626489 0.84 PIK3CB (0.60) PIK3CBLCKPIK3CDPIK3CAPIK3CG
SCHEMBL6625150 0.81 PIK3CB (0.71) PIK3CBLCKPIK3CDPIK3CAPIK3CG

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