SCHEMBL19668091

SCHEMBL19668091

Nc1cc(F)c(-c2cnn(CC3CC3)c2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CREBBP Q92793 1/20 0.43
FFAR1 O14842 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
FEN1 P39748 6/20 0.37
BMPR1A P36894 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDK2 Q15119 2/20 0.36

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
SCHEMBL19668095 0.95 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19668074 0.83 PIK3CD (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19668085 0.83 PIK3CD (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19668078 0.83 FFAR1 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19668094 0.80 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19668083 0.80 PIK3CD (0.49) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL18985660 0.78 PIK3CD (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL18986003 0.77 PIK3CD (0.62) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19541980 0.77 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19005012 0.74 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG

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
WO-2017207534-A1 SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017207534-A1 SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed