Sugi Predict

Sugi Predict / Compounds / SCHEMBL16248126

SCHEMBL16248126

SCHEMBL16248126

Cn1nc(-c2cccc(-n3ccc4cc(C(C)(C)CF)cc(F)c4c3=O)c2CN=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.67
▸ CLK2 P49760 1/20 0.45

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
SCHEMBL609173 0.94 BTK (0.74) BTKCLK2
SCHEMBL609704 0.86 BTK (0.73) BTKCLK2
SCHEMBL10264179 0.83 BTK (0.67) BTKCLK2
SCHEMBL610953 0.82 BTK (0.64) BTKCLK2
SCHEMBL608364 0.81 BTK (1.00) BTKCLK2
SCHEMBL16014333 0.79 BTK (1.00) BTKCLK2
SCHEMBL10201097 0.78 BTK (0.88) BTKCLK2
SCHEMBL1726016 0.78 BTK (0.83) BTKCLK2
SCHEMBL15577291 0.75 BTK (0.81) BTKCLK2
SCHEMBL608399 0.75 BTK (0.90) 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-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed