SCHEMBL30745147

SCHEMBL30745147

COC(=O)c1ccc2ncc(-c3cnn(C)c3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.62
FGFR2 P21802 5/20 0.55
FGFR3 P22607 5/20 0.55
FGFR1 P11362 3/20 0.54
KDR P35968 2/20 0.54
FGFR4 P22455 3/20 0.52
MAPK1 P28482 2/20 0.50
AURKB Q96GD4 2/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CREBBP Q92793 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
YES1 P07947 1/20 0.50
WNT1 P04628 3/20 0.49
DYRK1A Q13627 3/20 0.49
GSK3B P49841 2/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL28864744 1.00 MET (0.62) METFGFR2FGFR3FGFR1KDR
SCHEMBL29870004 0.86 FGFR2 (0.53) METFGFR2FGFR3FGFR1KDR
SCHEMBL29870028 0.86 MET (0.60) METFGFR2FGFR3FGFR1KDR
SCHEMBL28864797 0.86 MET (0.60) METFGFR2FGFR3FGFR1KDR
SCHEMBL29869630 0.84 FGFR2 (0.52) METFGFR2FGFR3FGFR1KDR
SCHEMBL14906657 0.84 FGFR2 (0.52) METFGFR2FGFR3FGFR1KDR
SCHEMBL16132972 0.83 FGFR3 (0.74) METFGFR2FGFR3FGFR1KDR
SCHEMBL17038912 0.81 FGFR2 (0.69) METFGFR2FGFR3FGFR1KDR
SCHEMBL17035986 0.81 FGFR3 (0.69) METFGFR2FGFR3FGFR1KDR
SCHEMBL3604195 0.80 MET (0.57) METFGFR2FGFR3FGFR1KDR

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
CN-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed