SCHEMBL23912240

SCHEMBL23912240

CCc1nc2cccc(CCCC3CCCCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.55
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
PDE7A Q13946 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PIK3R1 P27986 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL17458295 0.85 PIK3CD (0.67) PIK3CDPDE7APIK3CBPIK3CGHDAC6
SCHEMBL17458292 0.85 PIK3CD (0.67) PIK3CDPDE7APIK3CBPIK3CGHDAC6
SCHEMBL17458223 0.82 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGHDAC6
SCHEMBL23912237 0.82 HRH3 (0.59) PIK3CDKCNH2HRH3
SCHEMBL23912253 0.78 SMN1; SMN2 (0.45) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912247 0.77 HDAC1 (0.46) PIK3CDDRD1DRD5PDE7AKCNH2
SCHEMBL23912243 0.77 PIK3CD (0.50) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912265 0.77 PIK3CD (0.56) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL20404284 0.77 SMN1; SMN2 (0.48) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL20404396 0.77 PIK3CD (0.57) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2

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