SCHEMBL31684307

SCHEMBL31684307

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.40
▸ BTK Q06187 12/20 0.39
▸ GABRA5 P31644 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ EGFR P00533 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
SCHEMBL24040170 1.00 ITK (0.40) ITKBTKGABRA5NAMPTMAPT
SCHEMBL31684314 0.94 ITK (0.40) ITKBTKGABRA5NAMPTMAPT
SCHEMBL31684277 0.94 ITK (0.41) ITKBTKNAMPT
SCHEMBL21965633 0.94 ITK (0.41) ITKBTKNAMPT
SCHEMBL31684321 0.94 ITK (0.40) ITKBTKGABRA5NAMPT
SCHEMBL31684300 0.94 BTK (0.40) ITKBTKNAMPT
SCHEMBL21965595 0.94 BTK (0.40) ITKBTKNAMPT
SCHEMBL21965765 0.94 ITK (0.40) ITKBTKGABRA5NAMPT
SCHEMBL21966567 0.93 ITK (0.41) ITKBTKNAMPT
SCHEMBL31684274 0.93 ITK (0.41) 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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