SCHEMBL25663367

SCHEMBL25663367

CNc1cc2c(Nc3cccc(-n4nccn4)c3)ncnc2cc1OCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.57
▸ SRC P12931 5/20 0.57
▸ EGFR P00533 13/20 0.55
▸ EPHA2 P29317 1/20 0.55
▸ EPHB4 P54760 1/20 0.55
▸ ERBB2 P04626 2/20 0.54
▸ FGFR1 P11362 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 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
SCHEMBL25663360 0.90 KDR (0.54) KDRSRCEGFREPHA2EPHB4
SCHEMBL25663372 0.88 EGFR (0.59) KDRSRCEGFRERBB2FGFR1
SCHEMBL30549061 0.86 EGFR (0.73) KDRSRCEGFREPHB4ERBB2
SCHEMBL25262108 0.86 EGFR (0.73) KDRSRCEGFREPHB4ERBB2
SCHEMBL26058979 0.86 EGFR (0.67) KDRSRCEGFREPHB4ERBB2
SCHEMBL25211674 0.83 EGFR (0.79) KDRSRCEGFREPHB4ERBB2
SCHEMBL30549063 0.83 EGFR (0.79) KDRSRCEGFREPHB4ERBB2
SCHEMBL25663071 0.80 EGFR (0.55) KDRSRCEGFREPHA2EPHB4
SCHEMBL26057658 0.78 EGFR (0.66) KDREGFRERBB2
SCHEMBL25663172 0.78 SRC (0.60) KDRSRCEGFREPHB4ERBB2

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
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