SCHEMBL28567646

SCHEMBL28567646

CCC(N)c1nc2cccc(F)c2c(=O)n1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.58
PIK3CB P42338 8/20 0.52
PIK3CA P42336 6/20 0.52
PIK3CG P48736 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PIK3R1 P27986 2/20 0.45
PIK3R2 O00459 1/20 0.45
ABCB11 O95342 1/20 0.45
HTR1A P08908 1/20 0.45
PTGS1 P23219 1/20 0.45
OPRM1 P35372 1/20 0.45
PRKDC P78527 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45

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
SCHEMBL28567644 1.00 PIK3CD (0.58) PIK3CDPIK3CBPIK3CAPIK3CGSMN1; SMN2
SCHEMBL15812937 0.88 PIK3CD (0.64) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15812935 0.88 PIK3CD (0.64) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL356153 0.88 PIK3CG (0.58) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL21847966 0.88 PIK3CG (0.58) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL356152 0.88 PIK3CG (0.58) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16292921 0.87 PIK3CD (0.60) PIK3CDPIK3CBPIK3CAPIK3CGSMN1; SMN2
SCHEMBL16292920 0.87 PIK3CD (0.60) PIK3CDPIK3CBPIK3CAPIK3CGSMN1; SMN2
SCHEMBL15816551 0.85 PIK3CG (0.51) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15816549 0.85 PIK3CG (0.51) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1

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
CN-107690433-B Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient 韩国化学研究院 2021-04-09 CN disclosed