SCHEMBL19624641

SCHEMBL19624641

CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c(C#N)c2C=O)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.52
EGFR P00533 4/20 0.48
SRC P12931 1/20 0.47
LCK P06239 1/20 0.47
ITK Q08881 1/20 0.47

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
SCHEMBL25060294 0.98 BTK (0.49) BTKEGFRSRCLCKITK
SCHEMBL25060477 0.95 BTK (0.48) BTKEGFRLCK
SCHEMBL20411963 0.90 BTK (0.52) BTKEGFRSRCLCKITK
SCHEMBL15756453 0.89 BTK (0.57) BTKEGFRSRCLCKITK
SCHEMBL15756452 0.89 BTK (0.57) BTKEGFRSRCLCKITK
SCHEMBL19624892 0.86 BTK (0.52) BTKEGFRSRCLCKITK
SCHEMBL15756479 0.86 BTK (0.49) BTKEGFRSRCLCKITK
SCHEMBL15756458 0.85 BTK (0.48) BTKEGFRSRCLCKITK
SCHEMBL19624681 0.85 PIK3CD (0.39) BTK
SCHEMBL19544659 0.85 BTK (0.55) BTKEGFRSRCLCKITK

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-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed