SCHEMBL9820168

SCHEMBL9820168

COc1ccc(Nc2n[nH]c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.57
EEF2K O00418 1/20 0.57
PLK4 O00444 1/20 0.57
DAPK3 O43293 1/20 0.57
DYRK3 O43781 1/20 0.57
ROCK2 O75116 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
NTRK1 P04629 1/20 0.57
CDK1 P06493 1/20 0.57
RET P07949 1/20 0.57
FGFR1 P11362 1/20 0.57
FER P16591 1/20 0.57
FLT1 P17948 1/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
MARK3 P27448 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL9820109 0.85 RPS6KA3 (0.66) DYRK1AEEF2KPLK4DAPK3DYRK3
SCHEMBL6689658 0.77 EGFR (0.70) DYRK1ACDK1FGFR1PDGFRBDYRK1B
SCHEMBL8020401 0.77 MAPT (0.67) CDK2KMT2AMEN1MAPTMAPK1
SCHEMBL12037059 0.71 MAPT (0.71) GSK3BABCG2KMT2AMEN1MAPT
SCHEMBL2623444 0.71 MAPT (0.71) GSK3BABCG2KMT2AMEN1MAPT
SCHEMBL4498877 0.70 PRKAB2 (0.57) CDK1FGFR1CDK2GSK3BHIF1A
SCHEMBL5259065 0.70 MAPK14 (0.61) DYRK1AEEF2KPLK4DAPK3DYRK3
SCHEMBL5256323 0.70 PLK4 (0.57) DYRK1AEEF2KPLK4DAPK3DYRK3
SCHEMBL6689654 0.70 FGFR1 (0.57) CDK1FGFR1KDRPDGFRBABCG2
SCHEMBL316390 0.69 RAB9A (0.81) KMT2AMEN1MAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP claimed
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP claimed
EP-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP disclosed
US-4803216-A Pyrazole-3-amines as anti-inflammatory agents FISONS PLC (GB) 1989-02-07 US disclosed
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP disclosed