SCHEMBL4407770

SCHEMBL4407770

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCc2ccccn2)on1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
SMO Q99835 2/20 0.49
RAF1 P04049 13/20 0.44
BRAF P15056 13/20 0.44

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
SCHEMBL4408497 0.95 MAPK14 (0.48) MAPK14SMORAF1BRAF
SCHEMBL4415069 0.94 MAPK14 (0.47) MAPK14SMORAF1BRAF
SCHEMBL4408316 0.88 MAPK14 (0.49) MAPK14RAF1BRAF
SCHEMBL4412693 0.86 RAF1 (0.49) RAF1BRAF
SCHEMBL5604132 0.85 TEK (0.45) MAPK14RAF1BRAF
SCHEMBL4551606 0.85 MAPT (0.47) MAPK14RAF1BRAF
SCHEMBL4414281 0.84 MAPK14 (0.58) MAPK14SMORAF1BRAF
SCHEMBL4541481 0.83 RAB9A (0.47) MAPK14RAF1BRAF
SCHEMBL4418552 0.83 MAPK14 (0.44) MAPK14RAF1BRAF
SCHEMBL4418487 0.83 MAPK14 (0.48) MAPK14RAF1BRAF

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 2 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