SCHEMBL16801758

SCHEMBL16801758

COc1ccc(Nc2nc(N3CCC[C@@H](NC(=O)c4ccc(O)cc4)C3)cnc2C(N)=O)cc1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.87
▸ JAK3 P52333 15/20 0.85
▸ LCK P06239 8/20 0.84
▸ EGFR P00533 2/20 0.81

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
SCHEMBL16764295 0.97 BTK (0.92) BTKJAK3LCKEGFR
SCHEMBL16764908 0.97 BTK (0.92) BTKJAK3LCKEGFR
SCHEMBL16764263 0.93 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16764264 0.93 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763592 0.92 JAK3 (1.00) BTKJAK3LCKEGFR
SCHEMBL16763593 0.92 JAK3 (1.00) BTKJAK3LCKEGFR
SCHEMBL16764239 0.92 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16765088 0.92 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763893 0.92 JAK3 (1.00) BTKJAK3LCKEGFR
SCHEMBL16764547 0.92 JAK3 (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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