SCHEMBL2874191

SCHEMBL2874191

NC[C@H](Cc1cccc2ccccc12)NC(=O)C1=Cc2c[nH]c3nccc(c23)NC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.38
AKT2 P31751 9/20 0.38
AKT3 Q9Y243 8/20 0.38
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
PRKCA P17252 1/20 0.35
SYK P43405 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAPK14 Q16539 1/20 0.35
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SNCA P37840 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
SCHEMBL2874609 0.88 ECE1 (0.43) SNCA
SCHEMBL2874136 0.86 AKT1 (0.37) AKT1AKT2AKT3EGFRPIM1
SCHEMBL2873639 0.86 AKT1 (0.45) AKT1AKT2AKT3EGFRPIM1
Hydrochloric Acid SCHEMBL2878733 0.85 AKT1 (0.45) AKT1AKT2AKT3EGFRPIM1
SCHEMBL2876511 0.83 AKT1 (0.35) AKT1AKT2AKT3EGFRPIM1
SCHEMBL2878514 0.78 AKT1 (0.48) AKT1AKT2AKT3PIM1MAPKAPK2
SCHEMBL2876532 0.73 ADORA2A (0.47)
SCHEMBL2870786 0.72 SNCA (0.42) SNCA
SCHEMBL2877014 0.71 JAK2 (0.40) AKT1AKT3PIM1SYKMAPKAPK2
SCHEMBL2877013 0.71 PRKCI (0.40) AKT1AKT3PIM1SYKMAPKAPK2

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