SCHEMBL2039312

SCHEMBL2039312

CC(=O)NCc1cccc(-c2ncccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HPGDS O60760 3/20 0.46
▸ AOC3 Q16853 2/20 0.46
▸ ROCK1 Q13464 2/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ GRK5 P34947 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL22501724 0.86 HPGDS (0.50) HPGDSAOC3ROCK1PRKACAGRK5
SCHEMBL6418674 0.81 AOC3 (0.67) SYKAOC3HDAC1KMT2ALIPG
SCHEMBL1899410 0.80 NPSR1 (0.57) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24278258 0.80 NSD2 (0.50) SYKKMT2AL3MBTL1
SCHEMBL29675855 0.79 KCNB1 (0.55) SYKNPSR1IKBKBCHUKCDK2
SCHEMBL2052313 0.78 POLB (0.50) HPGDS
SCHEMBL4137386 0.78 BCL2 (0.66) AOC3HDAC1KMT2ALIPG
SCHEMBL12643630 0.77 PPID (0.66) SYKNPSR1HPGDSROCK1PRKACA
SCHEMBL5724620 0.77 LIPG (0.60) SYKAOC3ROCK1HDAC1KMT2A
SCHEMBL15677889 0.76 MAP4K4 (0.50) SYKAOC3HDAC1LIPGIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — CN claimed
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 — — CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 — — CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — CN disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO disclosed
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