SCHEMBL23912254

SCHEMBL23912254

CCc1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.55
HDAC6 Q9UBN7 3/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3R1 P27986 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL20404284 0.83 SMN1; SMN2 (0.48) PIK3CDHDAC6SMN1; SMN2ALDH1A1ESR1
SCHEMBL17458370 0.83 PIK3CD (0.66) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL17458368 0.83 PIK3CD (0.66) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL23912253 0.82 SMN1; SMN2 (0.45) PIK3CDHDAC6SMN1; SMN2ALDH1A1ESR1
SCHEMBL17458210 0.81 PIK3CD (0.69) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL15817874 0.79 PIK3CD (0.49) PIK3CDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17235505 0.78 ESR1 (0.60) HDAC6SMN1; SMN2ALDH1A1ESR1ESR2
SCHEMBL20404396 0.78 PIK3CD (0.57) PIK3CDPIK3CGSMN1; SMN2ALDH1A1ESR1
SCHEMBL23912237 0.78 HRH3 (0.59) PIK3CD
SCHEMBL17375329 0.76 PIK3CD (0.56) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA

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