SCHEMBL2879028

SCHEMBL2879028

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.36
CTRB1 P17538 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKACA P17612 1/20 0.35
MAPK1 P28482 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
PRKX P51817 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN2 Q16513 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SGK2 Q9HBY8 1/20 0.35
ECE1 P42892 1/20 0.35
AKT2 P31751 3/20 0.34
AKT3 Q9Y243 3/20 0.34
MMEL1 Q495T6 1/20 0.33

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
SCHEMBL2874516 0.89 AKT1 (0.43) AKT1CTRB1ROCK2RPS6KA5RPS6KA4
Hydrochloric Acid SCHEMBL2881188 0.88 AKT1 (0.43) AKT1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL2876397 0.85 AKT1 (0.38) AKT1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL2870920 0.82 AKT1 (0.35) AKT1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL2874598 0.81 ADORA2A (0.47) AKT1ROCK2RPS6KA5PRKACAMAPK1
SCHEMBL2876490 0.77 AKT1 (0.46) AKT1ROCK2RPS6KA5MAPK1GSK3A
SCHEMBL2874136 0.76 AKT1 (0.37) AKT1GSK3BROCK1AKT2AKT3
SCHEMBL2881143 0.74 JAK2 (0.35) AKT1ROCK2PRKACAGSK3AGSK3B
SCHEMBL2873639 0.74 AKT1 (0.45) AKT1ROCK2GSK3BROCK1ECE1
SCHEMBL2881447 0.74 ROCK2 (0.41) ROCK2RPS6KA5PRKACAMAPK1GSK3A

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