SCHEMBL3244502

SCHEMBL3244502

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(-c4csc(Nc5ccccc5)n4)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.49
ROCK1 Q13464 2/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
ROS1 P08922 1/20 0.49
PIM1 P11309 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
LIMK1 P53667 1/20 0.49
CAMK2B Q13554 1/20 0.49
DYRK1A Q13627 1/20 0.49
ERBB4 Q15303 1/20 0.49
PKN2 Q16513 1/20 0.49

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
SCHEMBL3241800 0.92 RAB9A (0.41) CSNK2A1ROCK1DYRK3ROCK2PRKD3
SCHEMBL3249096 0.89 RAB9A (0.45) CSNK2A1ROCK1DYRK3ROCK2PRKD3
SCHEMBL3249507 0.89 CSNK2A2 (0.48) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL3253478 0.88 CSNK2A2 (0.41) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL3253176 0.88 MEN1 (0.44) CSNK2A1ROCK1DYRK3ROCK2PRKD3
SCHEMBL4164423 0.85 CSNK2A1 (0.46) CSNK2A1ROCK1DYRK3ROCK2PRKD3
SCHEMBL3250131 0.85 CDK5 (0.47) MAPTNPC1RAB9AGAAMEN1
SCHEMBL3244365 0.84 ABL1 (0.51) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL3242975 0.83 PARP1 (0.49) ROCK2PIM1GSK3BAURKBMKNK2
SCHEMBL3249217 0.82 PARP1 (0.50) ROCK2PIM1GSK3BAURKBMAPT

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed