SCHEMBL23912306

SCHEMBL23912306

CCc1nc2cccc(OCCN3CCOCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.56
KCNH2 Q12809 3/20 0.51
HRH3 Q9Y5N1 3/20 0.51
HIF1A Q16665 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL23912241 0.90 HRH3 (0.60) PIK3CDKCNH2HRH3MEN1KMT2A
SCHEMBL23912309 0.90 HRH3 (0.60) PIK3CDKCNH2HRH3MEN1KMT2A
SCHEMBL17458387 0.84 PIK3CD (0.66) PIK3CDKCNH2HRH3OXTRAVPR1A
SCHEMBL17458389 0.84 PIK3CD (0.66) PIK3CDKCNH2HRH3OXTRAVPR1A
SCHEMBL23912244 0.83 PIK3CD (0.57) PIK3CDHIF1AGAAKDM4EMEN1
SCHEMBL17458468 0.82 PIK3CD (0.66) PIK3CDPOLBKDM4E
SCHEMBL23912265 0.82 PIK3CD (0.56) PIK3CDKCNH2HRH3GAAPOLB
SCHEMBL17461938 0.77 PIK3CD (0.62) PIK3CDPOLBKDM4E
SCHEMBL17457971 0.76 PIK3CD (0.66) PIK3CDKCNH2HRH3DRD1DRD5
SCHEMBL17457970 0.76 PIK3CD (0.66) PIK3CDKCNH2HRH3DRD1DRD5

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
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed