SCHEMBL18296208

SCHEMBL18296208

NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3ccc(F)cc3F)C2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 10/20 0.52
▸ JAK3 P52333 10/20 0.52
▸ EGFR P00533 4/20 0.52
▸ BTK Q06187 14/20 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
SCHEMBL18283508 0.82 BTK (0.71) LCKJAK3EGFRBTK
SCHEMBL20540867 0.82 BTK (0.71) LCKJAK3EGFRBTK
SCHEMBL18296094 0.80 JAK3 (0.67) LCKJAK3EGFRBTK
SCHEMBL20539806 0.76 BTK (0.71) LCKJAK3EGFRBTK
SCHEMBL18283598 0.76 BTK (0.71) LCKJAK3EGFRBTK
SCHEMBL18296207 0.75 BTK (0.50) LCKJAK3EGFRBTK
SCHEMBL20539808 0.74 JAK3 (0.57) LCKJAK3EGFRBTK
SCHEMBL18283965 0.74 JAK3 (0.57) LCKJAK3EGFRBTK
SCHEMBL20540873 0.74 JAK3 (0.69) LCKJAK3EGFRBTK
SCHEMBL18283938 0.74 JAK3 (0.58) LCKJAK3EGFRBTK

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
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
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