SCHEMBL4412840

SCHEMBL4412840

CCN1CCCC1CNC(=O)c1cc(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)ccc2C)no1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.51
BRAF P15056 4/20 0.51
MAPK14 Q16539 16/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL5602744 0.90 RAB9A (0.43) RAF1BRAFMAPK14
SCHEMBL4411016 0.90 BRAF (0.46) RAF1BRAFMAPK14
SCHEMBL5592981 0.88 RAF1 (0.54) RAF1BRAFMAPK14
SCHEMBL4412542 0.88 RAF1 (0.54) RAF1BRAFMAPK14
SCHEMBL4566569 0.88 RAF1 (0.55) RAF1BRAFMAPK14
SCHEMBL5593544 0.87 RAF1 (0.59) RAF1BRAFMAPK14
SCHEMBL4551384 0.86 RAF1 (0.52) RAF1BRAFMAPK14
SCHEMBL4551704 0.85 MAPK14 (0.57) RAF1BRAFMAPK14
SCHEMBL4552283 0.83 RAF1 (0.56) RAF1BRAFMAPK14
SCHEMBL4565118 0.83 RAF1 (0.56) RAF1BRAFMAPK14

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