SCHEMBL20053939

SCHEMBL20053939

CN/C=C(\C=N)Nc1nccc(-c2ccc(CNC(=O)c3cc4c(s3)CCNC4)c(C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.47
▸ ITGB3 P05106 5/20 0.39
▸ ITGA2B P08514 5/20 0.39
▸ AKT3 Q9Y243 1/20 0.35

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
SCHEMBL20053949 0.89 BTK (0.47) BTKAKT3
SCHEMBL16794298 0.85 BTK (0.63) BTKITGB3ITGA2BAKT3
SCHEMBL16793879 0.80 BTK (0.70) BTK
SCHEMBL20461116 0.79 BTK (0.61) BTKAKT3
SCHEMBL16793953 0.79 BTK (0.63) BTKITGB3ITGA2BAKT3
SCHEMBL20053904 0.79 BTK (0.51) BTK
SCHEMBL16793695 0.77 BTK (0.53) BTK
SCHEMBL20461218 0.77 BTK (0.40) BTK
SCHEMBL20461040 0.75 BTK (0.48) BTK
SCHEMBL20053969 0.75 MAPK1 (0.34) BTKAKT3

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-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
Send feedback