SCHEMBL16798653

SCHEMBL16798653

COc1ccc(N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CCS(=O)(=O)CC5)cc4)n3)C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.84
▸ BTK Q06187 12/20 0.73
▸ LCK P06239 8/20 0.73
▸ EGFR P00533 1/20 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
SCHEMBL16798655 1.00 JAK3 (0.84) JAK3BTKLCKEGFR
SCHEMBL16763734 0.91 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL16763735 0.91 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL16798552 0.85 JAK3 (0.84) JAK3BTKLCKEGFR
SCHEMBL16798550 0.85 JAK3 (0.84) JAK3BTKLCKEGFR
SCHEMBL16764891 0.85 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16764951 0.85 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16763593 0.84 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL16763592 0.84 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL16763808 0.82 JAK3 (1.00) JAK3BTKLCKEGFR

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
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 — — EP disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
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