SCHEMBL31684300

SCHEMBL31684300

COc1ccc(CNc2ncc(I)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 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.40
▸ ITK Q08881 3/20 0.40
▸ 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
SCHEMBL21965595 1.00 BTK (0.40) BTKITKNAMPT
SCHEMBL31684307 0.94 ITK (0.40) BTKITKNAMPT
SCHEMBL24040170 0.94 ITK (0.40) BTKITKNAMPT
SCHEMBL31684277 0.93 ITK (0.41) BTKITKNAMPT
SCHEMBL21965765 0.93 ITK (0.40) BTKITKNAMPT
SCHEMBL31684321 0.93 ITK (0.40) BTKITKNAMPT
SCHEMBL21965633 0.93 ITK (0.41) BTKITKNAMPT
SCHEMBL31684314 0.93 ITK (0.40) BTKITKNAMPT
SCHEMBL21903833 0.93 BTK (0.45) BTKITKNAMPT
SCHEMBL21903831 0.93 BTK (0.45) BTKITKNAMPT

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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