SCHEMBL4551380

SCHEMBL4551380

Cc1ccc(NCc2cncc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.46
RAF1 P04049 7/20 0.46
CNR2 P34972 1/20 0.39

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
SCHEMBL5601764 0.94 BRAF (0.40) BRAFRAF1
SCHEMBL4551383 0.87 BRAF (0.54) BRAFRAF1
SCHEMBL4410231 0.82 BRAF (0.48) BRAFRAF1
SCHEMBL4417865 0.81 BRAF (0.47) BRAFRAF1
SCHEMBL4408526 0.80 RAF1 (0.57) BRAFRAF1
SCHEMBL4552240 0.79 RAF1 (0.50) BRAFRAF1
SCHEMBL4565118 0.79 RAF1 (0.56) BRAFRAF1
SCHEMBL5603943 0.78 RAF1 (0.45) BRAFRAF1CNR2
SCHEMBL5604341 0.78 MAPK14 (0.43) BRAFRAF1
SCHEMBL4551892 0.78 RAF1 (0.44) BRAFRAF1CNR2

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