SCHEMBL3721705

SCHEMBL3721705

C[C@H]1COCCN1c1cc(=O)n2cccc(OS(=O)(=O)C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.42
PIK3CB P42338 10/20 0.42
PIK3CA P42336 10/20 0.42
CHEK1 O14757 6/20 0.41
ATR Q13535 6/20 0.41
PDCD1 Q15116 6/20 0.41
ATRIP Q8WXE1 6/20 0.41
CD274 Q9NZQ7 6/20 0.41
PIK3C3 Q8NEB9 3/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL3718193 1.00 PIK3CD (0.42) PIK3CDPIK3CBPIK3CACHEK1ATR
SCHEMBL3555030 0.84 PIK3CD (0.58) PIK3CDPIK3CBPIK3CA
SCHEMBL3716362 0.80 KDM4E (0.50) PIK3CDPIK3CBPIK3CACHEK1ATR
SCHEMBL13050023 0.80 KDM4E (0.50) PIK3CDPIK3CBPIK3CACHEK1ATR
SCHEMBL3714687 0.76 PRKDC (0.41) PIK3CDPIK3CBPIK3CA
SCHEMBL13403441 0.73 LMNA (0.37) PIK3CDPIK3CBPIK3CA
SCHEMBL23408531 0.72 MTOR (0.42) PIK3CDPIK3CACHEK1ATRPDCD1
SCHEMBL28577382 0.72 ATR (0.43) CHEK1ATRPDCD1ATRIPCD274
SCHEMBL29738240 0.72 MTOR (0.42) PIK3CDPIK3CACHEK1ATRPDCD1
SCHEMBL28584100 0.72 MTOR (0.42) PIK3CDPIK3CACHEK1ATRPDCD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed