SCHEMBL22010149

SCHEMBL22010149

COc1ccc(CNc2ncc(Br)c3c2c(-c2ccc(C(=O)Nc4ccccn4)cc2)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.44
▸ ERBB2 P04626 1/20 0.36
▸ TEC P42680 1/20 0.36
▸ TXK P42681 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ ERBB4 Q15303 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
SCHEMBL31684289 1.00 BTK (0.44) BTKERBB2TECTXKBMX
SCHEMBL21965248 0.94 BTK (0.44) BTKERBB2TECTXKBMX
SCHEMBL31684308 0.94 BTK (0.44) BTKERBB2TECTXKBMX
SCHEMBL31684286 0.93 BTK (0.45) BTKERBB2TECTXKBMX
SCHEMBL31684298 0.93 BTK (0.45) BTKERBB2TECTXKBMX
SCHEMBL21966568 0.93 BTK (0.45) BTKERBB2TECTXKBMX
SCHEMBL21966569 0.93 BTK (0.45) BTKERBB2TECTXKBMX
SCHEMBL31684314 0.93 ITK (0.40) BTK
SCHEMBL21903805 0.93 BTK (0.46) BTKERBB2TECTXKBMX
SCHEMBL21903804 0.93 BTK (0.46) BTKERBB2TECTXKBMX

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-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-05-20 — — EP disclosed
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