SCHEMBL28096365

SCHEMBL28096365

CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nnc(C(N)=O)c(Nc4ccc(CN)cc4)n3)C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.84
▸ LCK P06239 9/20 0.67
▸ JAK3 P52333 5/20 0.67
▸ EGFR P00533 3/20 0.63

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
SCHEMBL16764410 0.91 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16764120 0.91 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763559 0.88 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763558 0.88 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763731 0.88 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763729 0.88 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763676 0.87 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763674 0.87 BTK (1.00) BTKLCKJAK3EGFR
SCHEMBL16763854 0.86 BTK (0.91) BTKLCKJAK3EGFR
SCHEMBL16763852 0.86 BTK (0.91) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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