SCHEMBL4081310

SCHEMBL4081310

N#Cc1ccc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
CDK2 P24941 2/20 0.47
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
PRKX P51817 1/20 0.47
JAK3 P52333 1/20 0.47
CDK5 Q00535 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DYRK1A Q13627 1/20 0.47
MELK Q14680 1/20 0.47

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
SCHEMBL4083540 0.86 FGFR1 (0.50) GPR35CDK2CDC7DAPK3ROCK2
SCHEMBL4092896 0.85 HDAC6 (0.51) GPR35CDK2CDC7DAPK3ROCK2
SCHEMBL3879252 0.85 GPR35 (0.45) GPR35CDK2CDC7DAPK3ROCK2
SCHEMBL4085444 0.83 AURKA (0.47) GPR35CDK2CDC7DAPK3ROCK2
SCHEMBL4088594 0.82 GPR35 (0.55) GPR35CDK2CDK7AURKACCNA2
SCHEMBL4081022 0.81 FLT3 (0.50) GPR35FLT3NPC1RAB9AHDAC6
SCHEMBL4082126 0.79 HDAC6 (0.48) GPR35PIM1NPC1RAB9AGSK3B
SCHEMBL4078664 0.79 HPGD (0.44) GPR35CDK2CDK7CCNA2CCNA1
SCHEMBL4088586 0.79 KCNK3 (0.42) GPR35AURKALRRK2RAB9AGSK3B
SCHEMBL2913699 0.79 GPR35 (0.51) GPR35CDK7ALDH1A1PKMNPC1

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP claimed
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed