SCHEMBL4413461

SCHEMBL4413461

Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Oc2ccnc(N3CCOCC3)n2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.65
GSK3A P49840 8/20 0.44
MAPT P10636 1/20 0.43
SRC P12931 4/20 0.43
SYK P43405 4/20 0.43
BRAF P15056 1/20 0.41
MAPK12 P53778 2/20 0.41

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
SCHEMBL4551684 0.86 MAPK14 (0.59) MAPK14MAPTBRAF
SCHEMBL1598861 0.83 MAPK14 (0.67) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1600434 0.82 MAPK14 (0.65) MAPK14BRAF
SCHEMBL1599788 0.81 MAPK14 (0.78) MAPK14GSK3ABRAF
SCHEMBL1600022 0.81 MAPK14 (0.57) MAPK14GSK3AMAPTSRCSYK
SCHEMBL1600895 0.79 MAPK14 (0.65) MAPK14
SCHEMBL1600200 0.79 MAPK14 (0.82) MAPK14GSK3A
SCHEMBL1600212 0.79 MAPK14 (0.67) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1600485 0.79 MAPK14 (1.00) MAPK14SRCBRAFMAPK12
SCHEMBL6305466 0.79 MAPK14 (0.62) MAPK14GSK3ASRCSYKMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO claimed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed