SCHEMBL18296116

SCHEMBL18296116

Cn1cc(Nc2nc(N3CCCCC3)cnc2C(N)=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.54
▸ JAK3 P52333 15/20 0.54
▸ LCK P06239 12/20 0.54
▸ EGFR P00533 6/20 0.51

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
SCHEMBL18296430 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL29871745 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346882 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346873 0.87 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL23081040 0.85 BTK (0.49) BTKJAK3LCKEGFR
SCHEMBL18296401 0.85 LCK (0.65) BTKJAK3LCKEGFR
SCHEMBL18884514 0.85 BTK (0.70) BTKJAK3LCKEGFR
SCHEMBL20867957 0.84 JAK3 (0.71) BTKJAK3LCKEGFR
SCHEMBL22346932 0.83 BTK (0.68) BTKJAK3LCKEGFR
SCHEMBL22346936 0.83 BTK (0.68) 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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