SCHEMBL2881143

SCHEMBL2881143

O=C(O)C1=Cc2c[nH]c3nccc(c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.35
LRRK2 Q5S007 3/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
ROS1 P08922 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 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
SCHEMBL2878998 0.88 PIM1 (0.40) JAK2LRRK2CDC7PLK4CHEK1
SCHEMBL2874794 0.85 JAK2 (0.40) JAK2LRRK2CDC7PLK4CHEK1
SCHEMBL2874598 0.81 ADORA2A (0.47) ROCK2MAP4K4PRKCGPRKACARPS6KB1
SCHEMBL2870454 0.78 CHRM2 (0.38) CDC7AURKBAKT3
SCHEMBL2878522 0.78 JAK2 (0.38) JAK2LRRK2CDC7PLK4CHEK1
SCHEMBL2876490 0.77 AKT1 (0.46) MAPK13DYRK3ROCK2PRKD3MAP4K4
SCHEMBL2879028 0.74 AKT1 (0.36) ROCK2PRKACAAKT1GSK3AGSK3B
SCHEMBL2876273 0.74 HPGDS (0.46)
SCHEMBL2876743 0.74 NPC1 (0.46) ROCK2ROCK1
SCHEMBL2881447 0.73 ROCK2 (0.41) JAK2CDC7CHEK1ROCK2MAP4K4

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