SCHEMBL4413451

SCHEMBL4413451

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)N3CC4CCC(C3)O4)on2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.36
BRAF P15056 13/20 0.36
MAPT P10636 1/20 0.34
MAPK14 Q16539 2/20 0.33
USP30 Q70CQ3 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 0.87 RAF1 (0.36) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4408296 0.87 RAF1 (0.36) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4417914 0.83 TEK (0.43) RAF1BRAF
SCHEMBL4412696 0.83 USP30 (0.40) RAF1BRAFMAPTUSP30
SCHEMBL4411132 0.83 BRAF (0.38) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL4420133 0.82 RAB9A (0.48) RAF1BRAF
SCHEMBL4414341 0.82 USP30 (0.40) RAF1BRAFMAPK14USP30
SCHEMBL4569989 0.80 DRD2 (0.44)
SCHEMBL4410028 0.80 MAPT (0.38) RAF1BRAFMAPTMAPK14LRRK2
SCHEMBL5603582 0.80 MAPK14 (0.37) RAF1BRAFMAPTMAPK14LRRK2

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