SCHEMBL13947149

SCHEMBL13947149

Cc1cccc(-c2cc(C(N)=O)nc3[nH]ncc23)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 3/20 0.76
GRM2 Q14416 10/20 0.47
AURKA O14965 1/20 0.42
ROCK2 O75116 1/20 0.42
ERBB2 P04626 1/20 0.42
CSF1R P07333 1/20 0.42
FLT1 P17948 1/20 0.42
RPS6KB1 P23443 1/20 0.42
TYK2 P29597 1/20 0.42
AKT1 P31749 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
RPS6KA3 P51812 1/20 0.42
STK3 Q13188 1/20 0.42
ROCK1 Q13464 1/20 0.42
ERBB4 Q15303 1/20 0.42
AURKB Q96GD4 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
SGK2 Q9HBY8 1/20 0.42

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
SCHEMBL12743472 0.86 GRK2 (0.78) GRK2GRM2AURKAROCK2CSF1R
SCHEMBL12743418 0.86 GRK2 (1.00) GRK2GRM2AURKACSF1RKDR
SCHEMBL8255264 0.86 GRK2 (0.77) GRK2GRM2
SCHEMBL8251793 0.85 GRK2 (0.71) GRK2GRM2ROCK2FLT3ROCK1
SCHEMBL12743414 0.81 GRK2 (0.70) GRK2GRM2ROCK2ROCK1ALDH1A1
SCHEMBL8250104 0.80 GRK2 (0.67) GRK2GRM2BTKLCK
SCHEMBL8254623 0.79 GRK2 (0.60) GRK2GRM2
SCHEMBL8253701 0.77 GRK2 (0.67) GRK2ROCK2ROCK1
SCHEMBL8255399 0.77 GRK2 (0.67) GRK2GRM2TYK2
SCHEMBL8253714 0.77 GRK2 (0.61) GRK2GRM2AURKAROCK2ERBB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899333-B1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1 SANOFI AVENTIS (FR) 2009-02-18 EP disclosed