SCHEMBL16802174

SCHEMBL16802174

COCCOc1ccc(Nc2nc(N3CCC[C@@H](NC(C)=O)C3)cnc2C(N)=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.84
▸ JAK3 P52333 12/20 0.84
▸ LCK P06239 8/20 0.84
▸ EGFR P00533 3/20 0.65

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
SCHEMBL16763861 0.91 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16764253 0.91 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763849 0.91 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16764079 0.91 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL20867971 0.87 BTK (0.78) BTKJAK3LCKEGFR
SCHEMBL16798429 0.86 BTK (0.76) BTKJAK3LCKEGFR
SCHEMBL16763479 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763759 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16798483 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL17883325 0.86 BTK (1.00) 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-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
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