SCHEMBL13359206

SCHEMBL13359206

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3ccc(N)nc3)c2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK14 Q16539 4/20 0.46
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HDAC1 Q13547 2/20 0.39
▸ BTK Q06187 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ GSK3A P49840 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
SCHEMBL3258067 0.90 LYN (0.77) LYNMAPK9MAPK14BRAF
SCHEMBL13798003 0.80 LYN (0.78) LYNMAPK9MAPK14BRAF
SCHEMBL3256057 0.80 LYN (0.77) LYNMAPK9MAPK14MAPTKDM4E
SCHEMBL13797965 0.79 LYN (0.84) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL13359264 0.79 LYN (0.59) LYNMAPK9MAPK14MAPTKDM4E
SCHEMBL13797976 0.77 LYN (0.80) LYNMAPK9MAPK14BRAF
SCHEMBL3255234 0.77 LYN (1.00) LYNMAPK9MAPK14BRAF
SCHEMBL3255421 0.77 LYN (0.60) LYNMAPK9MAPK14MAPTKDM4E
SCHEMBL13797963 0.77 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL3257628 0.76 LYN (0.72) LYNMAPK9MAPK14MAPTKMT2A

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-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
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