SCHEMBL14013654

SCHEMBL14013654

Cc1nc2ccc(-c3ccc(OCC4(NC(=O)OC(C)C)COC4)cc3)nn2c1-c1cnc(N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.52
▸ PIK3CD O00329 2/20 0.52
▸ PIK3CB P42338 2/20 0.52
▸ PIK3CG P48736 2/20 0.52
▸ MAP3K12 Q12852 9/20 0.38
▸ TNF P01375 2/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ CLK2 P49760 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ DLK1 P80370 2/20 0.33
▸ PTGES O14684 1/20 0.33
▸ MAP3K13 O43283 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL3514771 0.93 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL12989736 0.92 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL3513244 0.91 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL3512765 0.90 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL3512456 0.89 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL12990063 0.89 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL3512134 0.84 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMAP3K12
SCHEMBL3516013 0.82 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3514705 0.80 TNF (0.45) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL14014043 0.77 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGTNF

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
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 — — WO disclosed
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