SCHEMBL17320116

SCHEMBL17320116

CNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2CCN(C)C(=O)/C=C/COC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.61
EGFR P00533 12/20 0.61
LCK P06239 12/20 0.61
ITK Q08881 10/20 0.61
JAK3 P52333 4/20 0.61
NUDT14 O95848 1/20 0.39
NUDT5 Q9UKK9 1/20 0.39

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
SCHEMBL410073 0.89 BTK (0.78) BTKEGFRLCKITKJAK3
SCHEMBL16802288 0.82 BTK (0.77) BTKEGFRLCKITKJAK3
SCHEMBL409213 0.80 BTK (0.79) BTKEGFRLCKITKJAK3
SCHEMBL17703365 0.80 BTK (0.66) BTKEGFRLCKITKJAK3
SCHEMBL410081 0.79 BTK (0.82) BTKEGFRLCKITKJAK3
SCHEMBL409254 0.76 BTK (1.00) BTKEGFRLCKITKJAK3
SCHEMBL29663809 0.76 BTK (1.00) BTKEGFRLCKITKJAK3
SCHEMBL14643775 0.76 BTK (0.78) BTKEGFRLCKITKJAK3
SCHEMBL409226 0.75 BTK (0.76) BTKEGFRLCKITKJAK3
SCHEMBL14617768 0.74 BTK (0.80) BTKEGFRLCKITKJAK3

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-2526934-B1 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-12-09 EP disclosed