SCHEMBL24444591

SCHEMBL24444591

COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(P)cc5)CNC4)cc3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.72
FLT3 P36888 2/20 0.72
AXL P30530 9/20 0.69
KDR P35968 6/20 0.69
MET P08581 4/20 0.69
FLT1 P17948 3/20 0.69
MERTK Q12866 3/20 0.69
KIT P10721 2/20 0.69
AURKA O14965 1/20 0.69
RIPK2 O43353 1/20 0.69
ABCB11 O95342 1/20 0.69
ABL1 P00519 1/20 0.69
EGFR P00533 1/20 0.69
ERBB2 P04626 1/20 0.69
NTRK1 P04629 1/20 0.69
LCK P06239 1/20 0.69
PGR P06401 1/20 0.69
LYN P07948 1/20 0.69
RET P07949 1/20 0.69
CHRM2 P08172 1/20 0.69

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
SCHEMBL371922 0.91 AXL (0.84) AURKBFLT3AXLKDRMET
SCHEMBL15872120 0.86 AXL (0.90) AURKBFLT3AXLKDRMET
SCHEMBL30918289 0.86 AXL (0.90) AURKBFLT3AXLKDRMET
SCHEMBL16083195 0.84 AURKB (0.85) AURKBFLT3AXLKDRMET
SCHEMBL372142 0.84 AURKB (1.00) AURKBFLT3AXLKDRMET
SCHEMBL12025694 0.84 AURKB (0.85) AURKBFLT3AXLKDRMET
SCHEMBL15509288 0.83 AURKB (0.83) AURKBFLT3AXLKDRMET
SCHEMBL371951 0.83 AURKB (0.87) AURKBFLT3AXLKDRMET
SCHEMBL17433337 0.83 AXL (0.84) AURKBFLT3AXLKDRMET
Cabozantinib SCHEMBL29351408 0.82 AXL (1.00) AURKBFLT3AXLKDRMET

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-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed