SCHEMBL2874516

SCHEMBL2874516

NC[C@H](Cc1ccccc1)NC(=O)C1=Cc2c[nH]c3nccc(c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.43
AKT2 P31751 9/20 0.43
AKT3 Q9Y243 8/20 0.43
ROCK1 Q13464 4/20 0.38
ROCK2 O75116 3/20 0.38
GSK3B P49841 2/20 0.37
EGFR P00533 1/20 0.37
PIM1 P11309 1/20 0.37
PRKCA P17252 1/20 0.37
SYK P43405 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPK14 Q16539 1/20 0.37
CTRB1 P17538 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKACA P17612 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3A P49840 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKX P51817 1/20 0.36

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
Hydrochloric Acid SCHEMBL2881188 0.99 AKT1 (0.43) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL2879028 0.89 AKT1 (0.36) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL2874136 0.86 AKT1 (0.37) AKT1AKT2AKT3ROCK1GSK3B
SCHEMBL2873639 0.85 AKT1 (0.45) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL2876490 0.85 AKT1 (0.46) AKT1AKT2AKT3ROCK1ROCK2
Hydrochloric Acid SCHEMBL2878733 0.84 AKT1 (0.45) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL2876778 0.81 AKT1 (0.41) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL2874598 0.81 ADORA2A (0.47) AKT1ROCK1ROCK2GSK3BRPS6KA5
SCHEMBL2881143 0.76 JAK2 (0.35) AKT1AKT3ROCK1ROCK2GSK3B
SCHEMBL2881447 0.75 ROCK2 (0.41) AKT3ROCK1ROCK2GSK3BPIM1

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-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
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed