SCHEMBL4967797

SCHEMBL4967797

CC1(C)CC(CC=O)Nc2cc(N)ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
APAF1 O14727 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4970728 0.81 PNMT (0.40) MEN1GAAMAPTKMT2A
SCHEMBL12465642 0.80 CREBBP (0.38) MEN1GAAMAPTKMT2A
SCHEMBL4015772 0.74 CA9 (0.47) CA9KDM4EMEN1GAAMAPT
SCHEMBL2482274 0.72 CA9 (0.45) CA9KDM4EMEN1GAAMAPT
SCHEMBL2942692 0.69 CA9 (0.41) CA9KDM4EMEN1GAAMAPT
SCHEMBL20558435 0.68 CA9 (0.33) CA9KDM4EMEN1GAAMAPT
SCHEMBL28394859 0.68 CA9 (0.39) CA9KDM4EMEN1GAAMAPT
SCHEMBL28144070 0.68 CA9 (0.33) CA9KDM4EMEN1GAAMAPT
SCHEMBL4609988 0.65 KDM4E (0.53) CA9KDM4EMEN1GAAMAPT
SCHEMBL30377238 0.64 CA9 (0.53) CA9KDM4EMEN1GAAMAPT

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 WO disclosed