SCHEMBL16798680

SCHEMBL16798680

COc1ccc(NC2CCCN(c3nnc(C(N)=O)c(Nc4ccc(C5CCNCC5)cc4)n3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.59
▸ LCK P06239 14/20 0.59
▸ EGFR P00533 8/20 0.59
▸ BTK Q06187 11/20 0.58

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
SCHEMBL16798679 1.00 JAK3 (0.59) JAK3LCKEGFRBTK
SCHEMBL16763789 0.91 LCK (0.66) JAK3LCKEGFRBTK
SCHEMBL16763786 0.91 LCK (0.66) JAK3LCKEGFRBTK
SCHEMBL16798592 0.89 LCK (0.74) JAK3LCKEGFRBTK
SCHEMBL16798593 0.89 LCK (0.74) JAK3LCKEGFRBTK
SCHEMBL16764199 0.83 LCK (0.81) JAK3LCKEGFRBTK
SCHEMBL16764201 0.83 LCK (0.81) JAK3LCKEGFRBTK
SCHEMBL16798616 0.82 BTK (0.60) JAK3LCKEGFRBTK
SCHEMBL16798617 0.82 BTK (0.60) JAK3LCKEGFRBTK
SCHEMBL30516835 0.82 LCK (0.61) JAK3LCKEGFRBTK

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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