SCHEMBL25663378

SCHEMBL25663378

CNc1cc2c(Nc3cncc(-c4c(F)cccc4F)c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.53
▸ KDR P35968 11/20 0.52
▸ FLT4 P35916 6/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ FLT1 P17948 2/20 0.52
▸ AURKA O14965 7/20 0.50
▸ PDGFRB P09619 7/20 0.50
▸ TEK Q02763 7/20 0.50
▸ AURKB Q96GD4 7/20 0.50
▸ ERBB2 P04626 5/20 0.50
▸ RET P07949 1/20 0.49
▸ KIF5B P33176 1/20 0.49

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
SCHEMBL25662957 0.91 EGFR (0.59) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25372394 0.88 EGFR (0.72) EGFRKDRFLT1PDGFRBAURKB
SCHEMBL30429568 0.88 EGFR (0.72) EGFRKDRFLT1PDGFRBAURKB
SCHEMBL25663317 0.86 EGFR (0.58) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25663373 0.85 EGFR (0.59) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25662578 0.84 EGFR (0.56) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25662550 0.83 EGFR (0.57) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25663305 0.82 EGFR (0.61) EGFRKDRFLT4FGFR1FLT1
SCHEMBL25663234 0.82 EGFR (0.50) EGFRKDRFLT1PDGFRBAURKB
SCHEMBL30429405 0.82 EGFR (0.69) EGFRKDRFLT1PDGFRBAURKB

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
Send feedback