SCHEMBL23912244

SCHEMBL23912244

CCc1nc2cccc(OCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.57
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
FKBP1A P62942 2/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL17458201 0.85 PIK3CD (0.67) PIK3CDALDH1A1FKBP1AHSP90AA1HSP90AB1
SCHEMBL17458199 0.85 PIK3CD (0.67) PIK3CDALDH1A1FKBP1AHSP90AA1HSP90AB1
SCHEMBL17458208 0.84 PIK3CD (0.69) PIK3CDALDH1A1SMN1; SMN2FKBP1AMAPT
SCHEMBL23912306 0.83 PIK3CD (0.56) PIK3CDALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL23912248 0.80 PIK3CD (0.56) PIK3CDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL17461936 0.79 PIK3CD (0.64) PIK3CDFKBP1AHSP90AA1HSP90AB1
SCHEMBL23912255 0.77 PIK3CD (0.54) PIK3CDALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL17458427 0.76 PIK3CD (0.67) PIK3CDALDH1A1KDM4EMAPTLMNA
SCHEMBL17458426 0.76 PIK3CD (0.67) PIK3CDALDH1A1KDM4EMAPTLMNA
SCHEMBL23912309 0.75 HRH3 (0.60) PIK3CDALDH1A1HSD17B10KMT2AMEN1

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