SCHEMBL29136883

SCHEMBL29136883

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)[C@@H]1CC1c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ METTL3 Q86U44 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.38

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
SCHEMBL29136982 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29879679 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29304970 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29136881 1.00 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL24737770 0.94 METTL3 (0.43) KLKB1METTL3
SCHEMBL29305492 0.94 METTL3 (0.43) KLKB1METTL3
SCHEMBL29136748 0.92 KDM4E (0.42) METTL3LRRK2
SCHEMBL29136745 0.92 KDM4E (0.42) METTL3LRRK2
SCHEMBL24738299 0.92 KDM4E (0.42) METTL3LRRK2
SCHEMBL24737784 0.90 KLKB1 (0.42) KLKB1DGAT1METTL3

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
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
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