SCHEMBL72990

SCHEMBL72990

NN=C(N)SNc1cccc(-c2cnc3ccccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
FGFR3 P22607 9/20 0.47
KDR P35968 9/20 0.47
CDK2 P24941 2/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
FLT3 P36888 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PIK3CA P42336 2/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
PKM P14618 2/20 0.40
FYN P06241 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
SCHEMBL72363 0.76 IRAK4 (0.61) MIFFGFR3KDRCDK2CDK1
SCHEMBL92615 0.74 FGFR3 (0.52) MIFFGFR3KDRCDK2CDK1
SCHEMBL72789 0.73 FYN (0.63) FGFR3KDRCDK2FYN
SCHEMBL73095 0.73 PKM (0.53) MIFFGFR3KDRCDK2CDK1
SCHEMBL72956 0.72 CDK2 (0.60) MIFFGFR3KDRCDK2CDK1
SCHEMBL73445 0.71 MIF (0.60) MIFKDRCDK2FLT3IRAK4
SCHEMBL74774 0.71 CDK2 (0.53) MIFFGFR3KDRCDK2CDK1
SCHEMBL73262 0.70 FGFR3 (0.53) MIFFGFR3KDRCDK2CDK1
SCHEMBL22044100 0.69 KIT (0.58) MIFFGFR3KDRIRAK4IKBKE
SCHEMBL71795 0.69 IRAK4 (0.53) MIFFGFR3KDRCDK2CDK1

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