SCHEMBL92615

SCHEMBL92615

NNC(=S)Nc1cccc(-c2cnc3ccccn23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 9/20 0.52
KDR P35968 9/20 0.52
MIF P14174 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.47
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
FLT3 P36888 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
IDO1 P14902 4/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13336370 0.87 KDR (0.61) FGFR3KDRFLT3
SCHEMBL72789 0.81 FYN (0.63) FGFR3KDRCDK2KDM4EALDH1A1
SCHEMBL72363 0.78 IRAK4 (0.61) FGFR3KDRMIFIRAK4FLT3
SCHEMBL73833 0.76 FGFR3 (0.73) FGFR3KDR
SCHEMBL72956 0.75 CDK2 (0.60) FGFR3KDRMIFIRAK4IKBKE
SCHEMBL13336412 0.74 KDR (0.47) FGFR3KDRALDH1A1
SCHEMBL22044100 0.74 KIT (0.58) FGFR3KDRMIFIRAK4IKBKE
SCHEMBL73445 0.74 MIF (0.60) KDRMIFIRAK4IKBKETBK1
SCHEMBL72990 0.74 MIF (0.48) FGFR3KDRMIFIRAK4IKBKE
SCHEMBL71926 0.73 FGFR3 (0.77) FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed