SCHEMBL20101125

SCHEMBL20101125

Nc1nc2cc(C(F)(F)F)ncc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.58
PIK3CA P42336 4/20 0.58
PIK3CB P42338 4/20 0.58
PIK3CG P48736 4/20 0.58
PI4KA P42356 3/20 0.58
PI4KB Q9UBF8 3/20 0.58
SCN4A P35499 2/20 0.54
EPHX2 P34913 1/20 0.54
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL19253768 0.86 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL20101123 0.79 MEN1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL25307122 0.74 PI4KA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL31114551 0.74 PI4KA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL1913811 0.74 SCN4A (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL30261092 0.74 SCN4A (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL30240959 0.73 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL19329204 0.73 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
SCHEMBL25493442 0.72 PI4KA (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA
Hydrochloric Acid SCHEMBL9362913 0.72 SCN4A (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPI4KA

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed