SCHEMBL29136866

SCHEMBL29136866

N#Cc1ccc(Cl)cc1C1C[C@@H]1C(=O)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.39
▸ TYK2 P29597 4/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL29879507 1.00 KLKB1 (0.39) KLKB1TYK2ABL1LRRK2METTL3
SCHEMBL29136913 1.00 KLKB1 (0.39) KLKB1TYK2ABL1LRRK2METTL3
SCHEMBL29302879 1.00 KLKB1 (0.39) KLKB1TYK2ABL1LRRK2METTL3
SCHEMBL29136865 1.00 KLKB1 (0.39) KLKB1TYK2ABL1LRRK2METTL3
SCHEMBL29304087 0.90 TYK2 (0.36) TYK2ABL1LRRK2JAK2
SCHEMBL29939911 0.90 TYK2 (0.36) TYK2ABL1LRRK2JAK2
SCHEMBL24739028 0.90 KLKB1 (0.41) KLKB1TYK2LRRK2METTL3
SCHEMBL29879342 0.90 KLKB1 (0.40) KLKB1ABL1LRRK2METTL3
SCHEMBL24737549 0.90 KLKB1 (0.40) KLKB1ABL1LRRK2METTL3
SCHEMBL29879270 0.90 KLKB1 (0.41) KLKB1TYK2LRRK2METTL3

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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