SCHEMBL4414281

SCHEMBL4414281

Cc1ccc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1-c1cc(C(=O)NCc2ccccn2)on1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.58
SMO Q99835 2/20 0.58
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 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
SCHEMBL4408184 0.91 MAPK14 (0.56) MAPK14SMORAF1BRAF
SCHEMBL4408497 0.89 MAPK14 (0.48) MAPK14SMORAF1BRAFNPC1
SCHEMBL4415069 0.89 MAPK14 (0.47) MAPK14SMORAF1BRAFNPC1
SCHEMBL4410223 0.87 MAPK14 (0.47) MAPK14SMORAF1BRAFNPC1
SCHEMBL4411272 0.86 MAPK14 (0.46) MAPK14SMORAF1BRAFNPC1
SCHEMBL4541475 0.85 RAF1 (0.56) MAPK14RAF1BRAFCYP3A4CYP2C9
SCHEMBL5593431 0.85 RAF1 (0.49) MAPK14SMORAF1BRAF
SCHEMBL4407770 0.84 MAPK14 (0.51) MAPK14SMORAF1BRAF
SCHEMBL4410286 0.84 RAF1 (0.49) MAPK14SMORAF1BRAF
SCHEMBL4551494 0.83 MAPK14 (0.51) 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 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