SCHEMBL28096702

SCHEMBL28096702

NC(=O)c1ncc(N2CCC[C@@H](NC(=O)O)C2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.79
LCK P06239 4/20 0.56
JAK3 P52333 3/20 0.56
EGFR P00533 2/20 0.56

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
SCHEMBL28096707 1.00 BTK (0.79) BTKLCKJAK3EGFR
SCHEMBL16764176 0.89 BTK (0.79) BTKLCKJAK3EGFR
SCHEMBL16763641 0.89 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16764178 0.89 BTK (0.79) BTKLCKJAK3EGFR
SCHEMBL16763644 0.89 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16764181 0.88 BTK (0.71) BTKLCKJAK3EGFR
SCHEMBL16764183 0.88 BTK (0.71) BTKLCKJAK3EGFR
SCHEMBL16801985 0.85 BTK (0.66) BTKLCKJAK3EGFR
SCHEMBL13052205 0.85 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL894662 0.85 BTK (0.59) BTKLCKJAK3EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105960404-B The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2019-09-03 CN disclosed
CN-105960404-A Inhibitors of bruton's tyrosine kinase 药品循环有限责任公司 2016-09-21 CN disclosed