SCHEMBL24743571

SCHEMBL24743571

Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(SN)c3)nc1N2C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.73
▸ PIK3CG P48736 16/20 0.73
▸ PIK3C2G O75747 15/20 0.73
▸ AURKA O14965 13/20 0.65
▸ AURKB Q96GD4 13/20 0.65
▸ BRD4 O60885 5/20 0.60
▸ PIK3CA P42336 4/20 0.60
▸ PIK3CB P42338 3/20 0.60
▸ NUAK1 O60285 2/20 0.60
▸ LRRK2 Q5S007 4/20 0.58
▸ DCLK1 O15075 2/20 0.58
▸ PLK4 O00444 2/20 0.56
▸ AURKC Q9UQB9 2/20 0.56
▸ MAPK7 Q13164 1/20 0.51

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
SCHEMBL24742671 0.87 PIK3CD (0.65) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20628540 0.86 PIK3CD (0.74) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457412 0.84 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742744 0.83 PIK3CD (0.70) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742652 0.83 PIK3CD (0.58) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742700 0.82 PIK3CD (0.59) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742645 0.81 PIK3CD (0.73) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742651 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742702 0.81 PIK3CD (0.73) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL24742704 0.81 PIK3CD (0.73) PIK3CDPIK3CGPIK3C2GAURKAAURKB

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-3440084-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2022-12-21 — — EP disclosed
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