SCHEMBL23316634

SCHEMBL23316634

CCC(Nc1ncnc2[nH]cnc12)c1cc2sccn2c(=O)c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.40
PIK3CG P48736 10/20 0.40
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3R2 O00459 2/20 0.38
ABCB11 O95342 1/20 0.38
HTR1A P08908 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
PRKDC P78527 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
PIK3C3 Q8NEB9 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
SCHEMBL23316461 0.87 PIK3CD (0.38) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL23316641 0.87 PIK3CD (0.46) PIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL17724012 0.85 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL23316419 0.77 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL23316453 0.76 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL17724011 0.74 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL17713865 0.74 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL17397284 0.73 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17401174 0.73 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17401127 0.73 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CB

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-3224248-B1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed