SCHEMBL6204919

SCHEMBL6204919

O=C(O)c1cc2c(cnn2C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.43
BCL2L1 Q07817 1/20 0.40
PLK4 O00444 2/20 0.38
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
CHEK2 O96017 2/20 0.38
CDK1 P06493 2/20 0.38
PIM1 P11309 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK9 P45984 2/20 0.38
CSNK1D P48730 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CSNK2A1 P68400 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKB Q96GD4 2/20 0.38
PLK3 Q9H4B4 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PRKACA P17612 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL5979776 0.72 GPR35 (0.40) GPR35BCL2L1DAOKDM4EMEN1
SCHEMBL26983415 0.72 GPR35 (0.37) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL1310113 0.68 GPR35 (0.68) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL2895320 0.67 GPR35 (0.46) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL16408743 0.66 PKM (0.44) CSNK1DGSK3AGSK3BCSNK2A1DYRK1A
SCHEMBL28531853 0.66 GPR35 (0.65) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL30643033 0.62 GPR35 (0.76) GPR35BCL2L1DYRK1ADAOKDM4E
SCHEMBL18549584 0.61 CHEK1 (0.40) AURKADAPK3GSK3ADYRK1ADAO
SCHEMBL6205077 0.61 GPR35 (0.42) GPR35BCL2L1PLK4AURKADAPK3
SCHEMBL12668178 0.61 GPR35 (0.55) GPR35BCL2L1PLK4AURKADAPK3

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-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO disclosed