SCHEMBL9820118

SCHEMBL9820118

Oc1ccc(Nc2cc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.50
AURKA O14965 1/20 0.44
DHFR P00374 2/20 0.41
PRKD3 O94806 2/20 0.41
RET P07949 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
EEF2K O00418 1/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
FER P16591 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL13844997 0.80 MAPK10 (0.46) FLT3CDK2MKNK2STK17AMEN1
SCHEMBL18118028 0.80 HAO1 (0.55) DHFRMEN1KMT2AMAPTALDH1A1
SCHEMBL834683 0.79 MAPT (0.50) AURKADHFRCDK1FGFR1RPS6KB1
SCHEMBL1272593 0.78
SCHEMBL9820193 0.77 RAB9A (0.61) DHFRGAAMEN1KMT2AMAPT
SCHEMBL20448349 0.76 MEN1 (0.32) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL23794879 0.76 ROCK1 (0.47) GSK3BROCK1MEN1KMT2AMAPT
SCHEMBL27764418 0.76 AGPAT2 (0.37) GAAMAPTALDH1A1LMNAHTT
SCHEMBL30732613 0.73 ALOX12 (0.51) CDK2GSK3BROCK1MEN1KMT2A
SCHEMBL3264551 0.72

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