SCHEMBL2870481

SCHEMBL2870481

CC(=O)N1CC(C(=O)NCCN2CCOCC2)=Cc2c[nH]c3nccc1c23

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.42
HPGDS O60760 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2876426 0.81 HPGDS (0.43) CD274HPGDSALDH1A1HTR1AMAOA
SCHEMBL2876273 0.81 HPGDS (0.46) CD274HPGDSALDH1A1HTR1AMAOA
SCHEMBL2876892 0.81 ROCK2 (0.43)
SCHEMBL2876171 0.80 CDC42BPB (0.41)
SCHEMBL2877100 0.76 ROCK2 (0.39) POLBALDH1A1
SCHEMBL2876524 0.76 ROCK1 (0.36)
SCHEMBL2873623 0.74 NPC1 (0.42) POLB
SCHEMBL2875905 0.73 ROCK2 (0.42)
SCHEMBL2876778 0.70 AKT1 (0.41)
SCHEMBL2876511 0.67 AKT1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP claimed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP claimed
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed