SCHEMBL19668093

SCHEMBL19668093

Cc1cc(-c2cnn(CC3CC3)c2)cc(N)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CREBBP Q92793 1/20 0.40
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
FLT3 P36888 2/20 0.38
SYK P43405 2/20 0.38
AURKB Q96GD4 2/20 0.38
KLKB1 P03952 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
TTK P33981 2/20 0.36
EGFR P00533 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PDK2 Q15119 2/20 0.35

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
SCHEMBL19668083 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19685238 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19668074 0.80 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18986003 0.79 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18985448 0.74 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18985739 0.74 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19668094 0.74 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Ammonia Solution, Strong SCHEMBL28956673 0.73 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3259744 0.72 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19668085 0.71 PIK3CD (0.47) 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 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