SCHEMBL20053969

SCHEMBL20053969

CN/C=C(\C=N)Nc1nccc(-c2ccc(C(CO)NC(=O)c3cc4c(s3)CCOC4)c(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ BTK Q06187 8/20 0.32
▸ MAP3K14 Q99558 1/20 0.32
▸ CTSA P10619 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK3 P27361 1/20 0.31

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 0.86 BTK (0.47) DYRK1AJAK2AKT3BTK
SCHEMBL20053967 0.82 BTK (0.50) AKT3BTKCTSA
SCHEMBL16794277 0.82 BTK (0.51) MAPK1JAK2BTKMAPK3
SCHEMBL20053939 0.75 BTK (0.47) AKT3BTK
SCHEMBL16793892 0.73 BTK (0.58) JAK2BTK
SCHEMBL20461131 0.71 BTK (0.38) DYRK1ABTKCDK2
SCHEMBL16794439 0.70 BTK (0.63) AKT3BTK
SCHEMBL26073236 0.68 AAK1 (0.38) BTK
SCHEMBL20461218 0.68 BTK (0.40) DYRK1AJAK2BTK
SCHEMBL16793657 0.68 MAPK1 (0.37) MAPK1BTK

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
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