SCHEMBL24737612

SCHEMBL24737612

CCOC(=O)c1nc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)S)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.41
▸ KLKB1 P03952 18/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL24737595 0.88 METTL3 (0.42) METTL3KLKB1
SCHEMBL29305141 0.82 KLKB1 (0.45) METTL3KLKB1
SCHEMBL29879714 0.82 KLKB1 (0.45) METTL3KLKB1
SCHEMBL27033680 0.80 KLKB1 (0.55) KLKB1
SCHEMBL29957768 0.80 KLKB1 (0.55) KLKB1
SCHEMBL29141788 0.79 METTL3 (0.43) METTL3KLKB1
SCHEMBL27033449 0.77 KLKB1 (0.38) METTL3KLKB1
SCHEMBL29958482 0.76 METTL3 (0.42) METTL3KLKB1
SCHEMBL27033752 0.76 METTL3 (0.42) METTL3KLKB1
SCHEMBL27033679 0.76 KLKB1 (0.38) METTL3KLKB1

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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