SCHEMBL18296086

SCHEMBL18296086

CC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3ccncc3)C2)nc1Nc1cc(C)ns1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.72
▸ JAK3 P52333 12/20 0.72
▸ LCK P06239 9/20 0.72
▸ EGFR P00533 3/20 0.48

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
SCHEMBL18284113 0.94 JAK3 (0.82) BTKJAK3LCKEGFR
SCHEMBL20540686 0.94 JAK3 (0.82) BTKJAK3LCKEGFR
SCHEMBL23081085 0.88 BTK (0.65) BTKJAK3LCKEGFR
SCHEMBL20540718 0.87 BTK (0.83) BTKJAK3LCKEGFR
SCHEMBL18283984 0.87 BTK (0.83) BTKJAK3LCKEGFR
SCHEMBL20540791 0.86 JAK3 (0.85) BTKJAK3LCKEGFR
SCHEMBL18283601 0.86 JAK3 (0.85) BTKJAK3LCKEGFR
SCHEMBL20540058 0.85 JAK3 (0.84) BTKJAK3LCKEGFR
SCHEMBL20539866 0.85 JAK3 (0.84) BTKJAK3LCKEGFR
SCHEMBL18283511 0.85 JAK3 (0.84) BTKJAK3LCKEGFR

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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