SCHEMBL9102639

SCHEMBL9102639

CC1(C)CN(c2nc(N3CCOCC3)nc(-n3c(F)nc4c(Cl)c(O)ccc43)n2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 14/20 0.48
PIK3CA P42336 8/20 0.43
PIK3CD O00329 6/20 0.43
PIK3CG P48736 5/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTOR P42345 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3C2B O00750 1/20 0.37

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
SCHEMBL5897638 0.89 PIK3CB (0.64) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL5897752 0.79 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL2959231 0.76 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL373171 0.75 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL373170 0.74 PIK3CB (0.57) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL373199 0.71 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL373149 0.70 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL373551 0.70 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL5211685 0.69 PIK3CB (0.53) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL2956679 0.68 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3CGMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1557415-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-06-06 EP disclosed