SCHEMBL29153405

SCHEMBL29153405

COc1cc2ncnc(Oc3ccc4c(C(=O)NC(C)C)c(C)oc4c3)c2cc1OCCCCCC(=O)Nc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.58
▸ FLT1 P17948 4/20 0.58
▸ FLT4 P35916 4/20 0.58
▸ HDAC1 Q13547 15/20 0.46
▸ HDAC3 O15379 9/20 0.46
▸ HDAC4 P56524 9/20 0.46
▸ HDAC7 Q8WUI4 9/20 0.46
▸ HDAC2 Q92769 9/20 0.46
▸ HDAC10 Q969S8 9/20 0.46
▸ HDAC11 Q96DB2 9/20 0.46
▸ HDAC8 Q9BY41 9/20 0.46
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC9 Q9UKV0 9/20 0.46
▸ HDAC5 Q9UQL6 9/20 0.46
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ MET P08581 1/20 0.44
▸ PIK3CA P42336 5/20 0.44

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
SCHEMBL30753474 1.00 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753476 0.94 KDR (0.68) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753461 0.94 KDR (0.68) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753456 0.94 KDR (0.68) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753464 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753467 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL29153395 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL30753469 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL29153404 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3
SCHEMBL29153412 0.92 KDR (0.58) KDRFLT1FLT4HDAC1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285518-A Quinazoline derivative containing benzofuran structure and application thereof 华侨大学 2023-12-26 — — CN claimed
CN-117285518-A Quinazoline derivative containing benzofuran structure and application thereof 华侨大学 2023-12-26 — — CN disclosed
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