SCHEMBL31684327

SCHEMBL31684327

COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4ccccc4)cc2)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.44
▸ ITK Q08881 2/20 0.41
▸ CFTR P13569 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL21965243 1.00 BTK (0.44) BTKITKCFTRNAMPTTP53
SCHEMBL21966564 0.93 BTK (0.48) BTK
SCHEMBL31684282 0.93 BTK (0.48) BTK
SCHEMBL31684280 0.93 BTK (0.48) BTK
SCHEMBL21965636 0.93 BTK (0.48) BTK
SCHEMBL21903780 0.93 BTK (0.46) BTKITKNAMPTTP53
SCHEMBL21903774 0.93 BTK (0.46) BTKITKNAMPTTP53
SCHEMBL21965766 0.91 BTK (0.49) BTKITK
SCHEMBL21903689 0.91 BTK (0.49) BTKITK
SCHEMBL31684271 0.91 BTK (0.49) BTKITK

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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