SCHEMBL9369602

SCHEMBL9369602

Cc1ccc2c(c1)C(=O)N(C)c1cccnc1N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3C2G O75747 6/20 0.46
PIK3CG P48736 6/20 0.46
AURKA O14965 4/20 0.46
AURKB Q96GD4 4/20 0.46
BRD4 O60885 5/20 0.43
IDO1 P14902 1/20 0.43
NUAK1 O60285 2/20 0.42
LRRK2 Q5S007 3/20 0.40
PLK4 O00444 2/20 0.40
AURKC Q9UQB9 2/20 0.40
MAPK7 Q13164 1/20 0.40
TTR P02766 2/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
CES1 P23141 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 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
SCHEMBL9369457 0.85 CYP3A4 (0.47) PIK3CDPIK3C2GPIK3CGBRD4IDO1
SCHEMBL10205375 0.81 CA1 (0.50) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL9369940 0.79 PIK3CD (0.50) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL22663660 0.76 PIK3CD (0.58) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL8101449 0.76 MYC (0.40) GAANPC1SMN1; SMN2
SCHEMBL8790761 0.75 TTR (0.50) BRD4MAPK7TTRCES1ALDH1A1
SCHEMBL9368507 0.75 ALDH1A1 (0.54) LRRK2GAANPC1ALDH1A1CYP1A2
SCHEMBL8791033 0.75 BRD4 (0.41) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL19457452 0.74 PIK3CD (0.56) PIK3CDPIK3C2GPIK3CGAURKAAURKB
SCHEMBL20875242 0.74 PIK3CD (0.59) PIK3CDPIK3C2GPIK3CGAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393530-B1 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMA (US) 1994-12-28 EP claimed
EP-0623112-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1994-11-09 EP claimed
EP-0393530-B1 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMA (US) 1994-12-28 EP disclosed
US-5087625-A Pyridodiazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1992-02-11 US disclosed
EP-0393530-A1 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-10-24 EP disclosed