SCHEMBL19004903

SCHEMBL19004903

CC1CC1Cn1cc(-c2ccc(N)c(NO)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PI4KA P42356 3/20 0.39
PIK3CG P48736 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
PIP5K1C O60331 1/20 0.36
PAICS P22234 7/20 0.36
LRRK2 Q5S007 1/20 0.35
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
WNT1 P04628 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL18986177 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20732679 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18986099 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005196 0.84 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005073 0.82 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005296 0.82 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005273 0.82 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005256 0.81 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005297 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19005148 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed