Sugi Predict

Sugi Predict / Compounds / SCHEMBL14980892

SCHEMBL14980892

SCHEMBL14980892

Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ccc4C3=O)c2CO)nc(N(N)c2ccc(C(=O)N3CCOCC3)cc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.59
▸ CLK2 P49760 1/20 0.42

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
SCHEMBL1431994 0.86 BTK (0.79) BTK
SCHEMBL14980895 0.81 BTK (0.65) BTK
SCHEMBL3139251 0.80 BTK (0.79) BTK
SCHEMBL3128926 0.78 BTK (0.76) BTK
SCHEMBL13425214 0.78 BTK (0.64) BTKCLK2
SCHEMBL14980902 0.78 BTK (0.55) BTK
SCHEMBL1724202 0.77 BTK (0.84) BTKCLK2
SCHEMBL13523470 0.77 BTK (0.81) BTK
SCHEMBL3129060 0.76 BTK (0.87) BTK
SCHEMBL3147381 0.74 BTK (1.00) 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