SCHEMBL16814088

SCHEMBL16814088

Cc1cc(-c2ccc(CNC(=O)c3cnc(C(C)(C)C)s3)c(C)c2)ncn1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.82
▸ AAK1 Q2M2I8 1/20 0.40
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL16793954 0.90 BTK (0.80) BTKAAK1EPHX2
SCHEMBL20461110 0.83 BTK (0.83) BTKAAK1
SCHEMBL29676735 0.83 BTK (0.71) BTK
SCHEMBL16794129 0.83 BTK (0.71) BTK
SCHEMBL20053938 0.83 BTK (0.71) BTKAAK1
SCHEMBL16794259 0.83 BTK (0.75) BTK
SCHEMBL20054005 0.83 BTK (0.68) BTK
SCHEMBL16793826 0.83 BTK (0.71) BTK
SCHEMBL29676560 0.83 BTK (0.75) BTK
SCHEMBL16794272 0.82 BTK (0.74) BTK

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-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 — — WO disclosed
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