SCHEMBL29958278

SCHEMBL29958278

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)C1CCc2ccc(Cl)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 11/20 0.40
▸ ACVRL1 P37023 1/20 0.39
▸ BRAF P15056 6/20 0.39
▸ RAF1 P04049 5/20 0.39
▸ METTL3 Q86U44 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL27033957 1.00 KLKB1 (0.40) KLKB1ACVRL1BRAFRAF1METTL3
SCHEMBL24737728 0.86 ACVRL1 (0.48) KLKB1ACVRL1BRAFMETTL3JAK2
SCHEMBL29879447 0.82 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29302927 0.82 KLKB1 (0.38) KLKB1METTL3
SCHEMBL27033947 0.81 PIK3C3 (0.39) KLKB1ACVRL1BRAFMETTL3TYK2
SCHEMBL27033738 0.80 KLKB1 (0.43) KLKB1BRAFMETTL3
SCHEMBL29879527 0.80 KLKB1 (0.41) KLKB1ACVRL1METTL3TYK2
SCHEMBL29137049 0.80 KLKB1 (0.41) KLKB1ACVRL1METTL3TYK2
SCHEMBL29879879 0.80 KLKB1 (0.41) KLKB1ACVRL1METTL3TYK2
SCHEMBL24737729 0.80 KLKB1 (0.41) KLKB1ACVRL1METTL3TYK2

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
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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