SCHEMBL3385924

SCHEMBL3385924

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.44
PTK2 Q05397 7/20 0.43
CDK8 P49336 1/20 0.42
MAPK14 Q16539 4/20 0.42
PTGS2 P35354 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 3/20 0.41
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C8 P10632 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40

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
SCHEMBL3383188 0.89 FLT3 (0.48) FLT3MAPK14FGFR3KDR
SCHEMBL3385711 0.88 MAPK14 (0.51) FLT3PTK2CDK8MAPK14CYP2C9
SCHEMBL3386198 0.86 PTK2 (0.60) PTK2MAPK14CYP2C9CYP2D6CYP2C8
SCHEMBL3383407 0.81 FLT3 (0.47) FLT3FGFR3KDR
SCHEMBL3381104 0.79 KDR (0.55) FLT3FGFR3KDR
SCHEMBL27705869 0.78 KDR (0.49) FLT3FGFR3KDR
SCHEMBL31386838 0.77 FLT3 (0.58) FLT3PTK2MAPK14PTGS2CYP2C9
SCHEMBL3197333 0.77 FLT3 (0.53) FLT3KDR
SCHEMBL3383429 0.77 FLT3 (0.48) FLT3MAPK14FGFR3KDRMAPK13
SCHEMBL3196311 0.76 MAPK14 (0.50) PTK2CDK8MAPK14CYP2C9CYP2D6

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
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed