SCHEMBL73160

SCHEMBL73160

O=CON(c1cccc(-c2cnc3ccccn23)c1)c1ccon1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
FLT3 P36888 4/20 0.39
PIK3CA P42336 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KDR P35968 5/20 0.37
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
DYRK1A Q13627 2/20 0.35
KIT P10721 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
PRKACA P17612 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL3596443 0.73 FLT3 (0.64) FLT3KDR
Formic Acid SCHEMBL73159 0.71 IRAK4 (0.47) MIFKDRCDK1CDK4CDK2
SCHEMBL18003003 0.69 MIF (0.56) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL3585409 0.69 FLT3 (0.54) FLT3KDRGABRG2GABRB3GABRA3
SCHEMBL73961 0.69 IRAK4 (0.52) MIFFLT3PIK3CAKDRCDK1
SCHEMBL2650330 0.65 FLT3 (0.74) MIFFLT3PIK3CAKDRIRAK4
SCHEMBL73445 0.65 MIF (0.60) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL73247 0.65 BACE1 (0.62) MIFFLT3PIK3CAKDRCDK2
SCHEMBL29109646 0.65 FLT3 (0.69) MIFFLT3PIK3CAPRMT5WDR77
SCHEMBL14138786 0.65 MIF (0.60) MIFFLT3PIK3CAPRMT5WDR77

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