SCHEMBL2445182

SCHEMBL2445182

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(C(=O)NCCCN(C)C)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.73
▸ AXL P30530 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CACNA1H O95180 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIPK4 Q8NE63 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ POLR1A O95602 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31371552 0.95 MAPK14 (0.81) MAPK14AXLMCHR1CACNA1HHIPK4
SCHEMBL2443328 0.95 MAPK14 (0.81) MAPK14AXLMCHR1CACNA1HHIPK4
SCHEMBL2443317 0.90 MAPK14 (0.63) MAPK14MCHR1SCN9AL3MBTL1MEN1
SCHEMBL5296558 0.88 MAPK14 (0.62) MAPK14MCHR1MEN1KMT2AHIPK4
SCHEMBL4609146 0.87 MAPK14 (0.57) MAPK14AXLMCHR1SCN9ACACNA1H
SCHEMBL31371595 0.87 MAPK14 (0.72) MAPK14AXLMCHR1L3MBTL1KMT2A
Arry-797 SCHEMBL29351662 0.85 MAPK14 (1.00) MAPK14METKDRL3MBTL1MEN1
Arry-797 SCHEMBL222635 0.85 MAPK14 (1.00) MAPK14METKDRL3MBTL1MEN1
Arry-797 SCHEMBL31046796 0.85 MAPK14 (1.00) MAPK14METKDRL3MBTL1MEN1
Arry-797 SCHEMBL29349798 0.85 MAPK14 (1.00) MAPK14METKDRL3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 — — EP claimed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 — — US disclosed
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