SCHEMBL29153408

SCHEMBL29153408

CCNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OCCCCCC(=O)NO)cc34)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.67
▸ FLT1 P17948 1/20 0.67
▸ FLT4 P35916 1/20 0.67
▸ HDAC3 O15379 16/20 0.50
▸ HDAC4 P56524 16/20 0.50
▸ HDAC1 Q13547 16/20 0.50
▸ HDAC7 Q8WUI4 16/20 0.50
▸ HDAC2 Q92769 16/20 0.50
▸ HDAC10 Q969S8 16/20 0.50
▸ HDAC11 Q96DB2 16/20 0.50
▸ HDAC8 Q9BY41 16/20 0.50
▸ HDAC6 Q9UBN7 16/20 0.50
▸ HDAC9 Q9UKV0 16/20 0.50
▸ HDAC5 Q9UQL6 16/20 0.50
▸ EGFR P00533 3/20 0.49
▸ ERBB2 P04626 2/20 0.49
▸ AURKA O14965 1/20 0.48
▸ MET P08581 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48

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
SCHEMBL29153394 1.00 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL29153407 1.00 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753473 1.00 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753465 1.00 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753457 1.00 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753470 0.93 KDR (0.79) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753458 0.93 KDR (0.79) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL30753475 0.93 KDR (0.79) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL29153402 0.91 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL29153399 0.91 KDR (0.67) KDRFLT1FLT4HDAC3HDAC4

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
Send feedback