SCHEMBL14980895

SCHEMBL14980895

C[C@@H]1CCN(C(=O)c2ccc(N(N)c3nc(-c4cccc(N5CCc6cc(C7CC7)ccc6C5=O)c4CO)cn(C)c3=O)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 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
SCHEMBL13512626 0.86 BTK (0.86) BTK
SCHEMBL14980892 0.81 BTK (0.59) BTK
SCHEMBL1431334 0.80 BTK (0.89) BTK
SCHEMBL1432052 0.79 BTK (1.00) BTK
SCHEMBL1432139 0.79 BTK (0.90) BTK
SCHEMBL3138946 0.79 BTK (0.90) BTK
SCHEMBL1433115 0.79 BTK (0.83) BTK
SCHEMBL3129060 0.78 BTK (0.87) BTK
SCHEMBL1431133 0.78 BTK (0.81) BTK
SCHEMBL1431411 0.78 BTK (0.81) 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
EP-2300459-B1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-05-29 EP disclosed