SCHEMBL31684277

SCHEMBL31684277

COc1ccc(CNc2ncc(CO)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 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.41
▸ BTK Q06187 12/20 0.40
▸ NAMPT P43490 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ USP30 Q70CQ3 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
SCHEMBL21965633 1.00 ITK (0.41) ITKBTKNAMPTKDM4EALDH1A1
SCHEMBL31684307 0.94 ITK (0.40) ITKBTKNAMPT
SCHEMBL24040170 0.94 ITK (0.40) ITKBTKNAMPT
SCHEMBL31684314 0.93 ITK (0.40) ITKBTKNAMPT
SCHEMBL21965765 0.93 ITK (0.40) ITKBTKNAMPTUSP30
SCHEMBL31684321 0.93 ITK (0.40) ITKBTKNAMPTUSP30
SCHEMBL21965595 0.93 BTK (0.40) ITKBTKNAMPT
SCHEMBL31684300 0.93 BTK (0.40) ITKBTKNAMPT
SCHEMBL21903813 0.93 BTK (0.43) ITKBTKNAMPTKDM4EALDH1A1
SCHEMBL21903816 0.93 BTK (0.43) ITKBTKNAMPTKDM4EALDH1A1

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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