SCHEMBL28106596

SCHEMBL28106596

C=CC(=O)N[C@H]1CCN(c2ncc(C(=O)O)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)C1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.87
▸ KCNH2 Q12809 1/20 0.55
▸ EGFR P00533 1/20 0.49
▸ LCK P06239 1/20 0.49

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
SCHEMBL18044961 0.93 BTK (1.00) BTKKCNH2
SCHEMBL16676819 0.93 BTK (1.00) BTKKCNH2
SCHEMBL28281468 0.84 BTK (0.71) BTKKCNH2
SCHEMBL16671028 0.82 BTK (1.00) BTKKCNH2
SCHEMBL18044931 0.82 BTK (1.00) BTKKCNH2
SCHEMBL16676809 0.82 BTK (1.00) BTKKCNH2
SCHEMBL20998484 0.80 BTK (0.79) BTKKCNH2EGFRLCK
SCHEMBL28106073 0.79 BTK (0.78) BTKKCNH2EGFRLCK
SCHEMBL28106087 0.79 BTK (0.78) BTKKCNH2EGFRLCK
SCHEMBL18044912 0.79 BTK (0.73) BTKKCNH2

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-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 — — CN disclosed
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