SCHEMBL6810177

SCHEMBL6810177

c1cc2c(s1)CCc1c[nH]nc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 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
SCHEMBL13740452 0.72 CES1 (0.43) MAPK8MAPK9DYRK1ANOS2HTR2C
SCHEMBL8429308 0.68 PARP10 (0.45) CHEK1LTKKDRHTR2AHTR2C
SCHEMBL7128438 0.66 PLK4 (0.45) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL2708066 0.66 DRD4 (0.51) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL12177491 0.66 DRD4 (0.47)
SCHEMBL643615 0.65 KDM4E (0.54) LMNAKDM4EALDH1A1MAPT
SCHEMBL4584548 0.65 PLK4 (0.47) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL9690326 0.64 PLK4 (0.40) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL12327868 0.64 ALDH1A1 (0.49) CHEK1LMNAPDGFRBKDM4EALDH1A1
SCHEMBL7576114 0.63 NOS2 (0.39) PLK4CHEK1AURKADAPK3PRKD3

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-1073435-B1 SUBSTITUTED TRICYCLIC PYRAZOLE DERIVATIVES WITH PROTEIN KINASE ACTIVITY ABBOTT GMBH & CO KG (DE) 2004-07-07 EP disclosed
CN-1311678-A substituted tricyclic pyrazole derivatives having protein kinase activity BASF AG (DE) 2001-09-05 CN disclosed
EP-1073435-A1 SUBSTITUTED TRICYCLIC PYRAZOLE DERIVATIVES WITH PROTEIN KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999055335-A1 SUBSTITUTED TRICYCLIC PYRAZOLE DERIVATIVES WITH PROTEIN KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed