SCHEMBL31684274

SCHEMBL31684274

COc1ccc(CNc2ncc(C=O)c3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.41
▸ BTK Q06187 12/20 0.39
▸ USP30 Q70CQ3 1/20 0.36
▸ NAMPT P43490 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
SCHEMBL21966567 1.00 ITK (0.41) ITKBTKUSP30NAMPT
SCHEMBL24040170 0.93 ITK (0.40) ITKBTKNAMPT
SCHEMBL31684307 0.93 ITK (0.40) ITKBTKNAMPT
SCHEMBL21903695 0.93 BTK (0.43) ITKBTKNAMPT
SCHEMBL21903699 0.93 BTK (0.43) ITKBTKNAMPT
SCHEMBL21965633 0.93 ITK (0.41) ITKBTKUSP30NAMPT
SCHEMBL31684314 0.93 ITK (0.40) ITKBTKNAMPT
SCHEMBL21965765 0.93 ITK (0.40) ITKBTKUSP30NAMPT
SCHEMBL21965595 0.93 BTK (0.40) ITKBTKNAMPT
SCHEMBL31684300 0.93 BTK (0.40) ITKBTKNAMPT

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
EP-3653626-B1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2025-09-17 — — EP disclosed
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