SCHEMBL29693422

SCHEMBL29693422

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 1.00
KDR P35968 4/20 1.00
AXL P30530 8/20 0.85
MERTK Q12866 4/20 0.85
EGFR P00533 3/20 0.85
FLT1 P17948 3/20 0.85
AURKB Q96GD4 3/20 0.85
AURKA O14965 2/20 0.85
RIPK2 O43353 2/20 0.85
ABL1 P00519 2/20 0.85
ERBB2 P04626 2/20 0.85
NTRK1 P04629 2/20 0.85
LCK P06239 2/20 0.85
LYN P07948 2/20 0.85
RET P07949 2/20 0.85
HCK P08631 2/20 0.85
ADRA2A P08913 2/20 0.85
KIT P10721 2/20 0.85
BCR P11274 2/20 0.85
FGFR1 P11362 2/20 0.85

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
SCHEMBL372070 1.00 MET (1.00) METKDRAXLMERTKEGFR
SCHEMBL14742773 0.95 MET (0.90) METKDRAXLMERTKEGFR
SCHEMBL24444680 0.93 MET (0.88) METKDRAXLMERTKEGFR
SCHEMBL371644 0.93 MET (0.87) METKDRAXLMERTKEGFR
SCHEMBL29693486 0.93 MET (0.87) METKDRAXLMERTKEGFR
Foretinib SCHEMBL371804 0.92 MET (1.00) METKDRAXLMERTKEGFR
SCHEMBL29693444 0.92 MET (1.00) METKDRAXLMERTKEGFR
Foretinib SCHEMBL29358674 0.92 MET (1.00) METKDRAXLMERTKEGFR
Foretinib SCHEMBL30498609 0.92 MET (1.00) METKDRAXLMERTKEGFR
SCHEMBL372153 0.92 MET (1.00) METKDRAXLMERTKEGFR

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 claimed