SCHEMBL4727293

SCHEMBL4727293

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.55
BRAF P15056 16/20 0.55
MAPK14 Q16539 2/20 0.51

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
SCHEMBL4727303 0.93 MAPK14 (0.52) RAF1BRAFMAPK14
SCHEMBL4781713 0.91 MAPK14 (0.53) RAF1BRAFMAPK14
SCHEMBL4783505 0.91 MAPK14 (0.49) RAF1BRAFMAPK14
SCHEMBL4728270 0.89 MAPK14 (0.51) RAF1BRAFMAPK14
SCHEMBL4784010 0.88 LMNA (0.47) RAF1BRAFMAPK14
SCHEMBL4780389 0.88 RAF1 (0.53) RAF1BRAFMAPK14
SCHEMBL4728328 0.87 RAF1 (0.54) RAF1BRAFMAPK14
SCHEMBL4410361 0.87 RAF1 (0.49) RAF1BRAFMAPK14
SCHEMBL4781325 0.86 RAF1 (0.55) RAF1BRAF
SCHEMBL4727827 0.86 MAPK14 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed