SCHEMBL4408296

SCHEMBL4408296

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)N3CC(C)(C)OC(C)(C)C3)on2)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.36
BRAF P15056 15/20 0.36
MAPT P10636 1/20 0.34
MAPK14 Q16539 2/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL14473174 0.93 RAF1 (0.36) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4413451 0.87 RAF1 (0.36) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4411132 0.84 BRAF (0.38) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL5603042 0.84 TEK (0.44) RAF1BRAF
SCHEMBL4412696 0.81 USP30 (0.40) RAF1BRAFMAPT
SCHEMBL4410028 0.80 MAPT (0.38) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL5603582 0.80 MAPK14 (0.37) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4420133 0.80 RAB9A (0.48) RAF1BRAF
SCHEMBL4414341 0.80 USP30 (0.40) RAF1BRAFMAPK14
SCHEMBL4409883 0.79 MAPK14 (0.36) RAF1BRAFMAPTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed