SCHEMBL30429677

SCHEMBL30429677

Nc1cc2c(Nc3cc(-c4ncc(F)cc4F)ccc3F)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
KDR P35968 8/20 0.56
FLT1 P17948 5/20 0.56
FGFR1 P11362 4/20 0.56
FLT4 P35916 3/20 0.56
RET P07949 3/20 0.52
KIF5B P33176 1/20 0.52
SRC P12931 7/20 0.52
ERBB2 P04626 4/20 0.52
CIT O14578 2/20 0.52
GAK O14976 2/20 0.52
EPHB6 O15197 2/20 0.52
RIPK2 O43353 2/20 0.52
STK17B O94768 2/20 0.52
STK10 O94804 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
LYN P07948 2/20 0.52
MET P08581 2/20 0.52
HCK P08631 2/20 0.52

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
SCHEMBL25371013 1.00 EGFR (0.60) EGFRKDRFLT1FGFR1FLT4
SCHEMBL29380812 0.88 EGFR (0.57) EGFRKDRFLT1FGFR1FLT4
SCHEMBL25212340 0.88 EGFR (0.57) EGFRKDRFLT1FGFR1FLT4
SCHEMBL25244478 0.85 EGFR (0.69) EGFRKDRFLT1RETSRC
SCHEMBL29380830 0.85 EGFR (0.69) EGFRKDRFLT1RETSRC
SCHEMBL25372443 0.82 EGFR (0.64) EGFRKDRFLT1RETSRC
SCHEMBL30429601 0.82 EGFR (0.64) EGFRKDRFLT1RETSRC
SCHEMBL3245680 0.81 EGFR (0.66) EGFRKDRFLT1FGFR1FLT4
SCHEMBL25663079 0.80 EGFR (0.58) EGFRKDRFLT1FLT4RET
SCHEMBL26055604 0.79 EGFR (0.69) EGFRKDRFLT1RETSRC

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-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 EP disclosed