SCHEMBL30131807

SCHEMBL30131807

Cc1ccc2c(c1)C(=O)N(C)c1cnc(Cl)nc1N2C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.56
▸ PIK3CG P48736 14/20 0.56
▸ PIK3C2G O75747 13/20 0.56
▸ AURKA O14965 10/20 0.56
▸ AURKB Q96GD4 10/20 0.56
▸ NUAK1 O60285 2/20 0.52
▸ BRD4 O60885 5/20 0.49
▸ LRRK2 Q5S007 4/20 0.49
▸ PLK4 O00444 2/20 0.49
▸ AURKC Q9UQB9 2/20 0.49
▸ MAPK7 Q13164 2/20 0.48
▸ PIK3CA P42336 4/20 0.46
▸ PIK3CB P42338 3/20 0.46

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
SCHEMBL19457452 1.00 PIK3CD (0.56) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL22663660 0.86 PIK3CD (0.58) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20875242 0.84 PIK3CD (0.59) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL10098691 0.82 MAPK7 (0.56) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19436609 0.81 TNK2 (0.51) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL9369940 0.79 PIK3CD (0.50) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL10205375 0.78 CA1 (0.50) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL20628540 0.77 PIK3CD (0.74) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL9369602 0.74 PIK3CD (0.46) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL21937775 0.73 PIK3CD (0.84) 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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