SCHEMBL24737781

SCHEMBL24737781

CC(=O)Nc1cc(Cc2cn3cc(C4C[C@H]4C)ccc3n2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LRRK2 Q5S007 7/20 0.37
▸ ABL1 P00519 4/20 0.37
▸ PIK3CA P42336 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KLKB1 P03952 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ METTL3 Q86U44 1/20 0.33

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
SCHEMBL29879407 0.88 METTL3 (0.44) L3MBTL1KLKB1METTL3
SCHEMBL29303134 0.88 METTL3 (0.44) L3MBTL1KLKB1METTL3
SCHEMBL29879393 0.77 KLKB1 (0.42) KLKB1METTL3
SCHEMBL24737784 0.77 KLKB1 (0.42) KLKB1METTL3
SCHEMBL29305425 0.76 METTL3 (0.46) L3MBTL1KLKB1METTL3
SCHEMBL21355245 0.70 KDM4E (0.42) L3MBTL1ABL1KDM4ETP53METTL3
SCHEMBL21368412 0.69 KLKB1 (0.44) KDM4ETP53KLKB1METTL3
SCHEMBL29305553 0.69 METTL3 (0.46) ABL1KLKB1METTL3
SCHEMBL24737770 0.69 METTL3 (0.43) KLKB1METTL3
SCHEMBL29305492 0.69 METTL3 (0.43) KLKB1METTL3

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
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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