SCHEMBL2874152

SCHEMBL2874152

O=C(NCc1cccc(Cl)c1)C1=Cc2c[nH]c3nccc(c23)NC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
WDR5 P61964 1/20 0.39
ROCK2 O75116 2/20 0.39
TP53 P04637 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL2876532 0.88 ADORA2A (0.47) LMNAKMT2AMMP13
SCHEMBL2876743 0.85 NPC1 (0.46) NPC1LMNAPOLBWDR5ROCK2
SCHEMBL2873623 0.81 NPC1 (0.42) NPC1LMNAPOLBWDR5ROCK2
SCHEMBL2877014 0.76 JAK2 (0.40) ROCK2ROCK1
SCHEMBL2876903 0.75 ALDH1A1 (0.38) TP53MAPK1
SCHEMBL2878522 0.74 JAK2 (0.38) ROCK2ROCK1
SCHEMBL2877013 0.73 PRKCI (0.40) ROCK2ROCK1
SCHEMBL2873639 0.72 AKT1 (0.45) ROCK2MAPK14ROCK1
Hydrochloric Acid SCHEMBL2878733 0.72 AKT1 (0.45) ROCK2MAPK14ROCK1
SCHEMBL2874598 0.72 ADORA2A (0.47) LMNAROCK2MAPK1KMT2AROCK1

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