SCHEMBL3633472

SCHEMBL3633472

COc1ccc(-c2ccc3nc(C)c(-c4cncc(C(F)(F)F)c4)n3n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.69
PIK3CD O00329 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
FYN P06241 12/20 0.51
BRD4 O60885 1/20 0.49
FUBP1 Q96AE4 1/20 0.48
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
HASPIN Q8TF76 1/20 0.45
ATR Q13535 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL13595838 0.84 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3512829 0.82 FYN (0.73) PIK3CAFYNATR
SCHEMBL4054058 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514490 0.82 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513764 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514614 0.81 FYN (0.64) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3512458 0.80 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4054806 0.80 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4054197 0.80 FYN (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4054305 0.79 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed