SCHEMBL4801725

SCHEMBL4801725

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC(C)(C)CN3CCOCC3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.45
BRAF P15056 19/20 0.45
MAPK14 Q16539 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
SCHEMBL4782731 0.93 RAF1 (0.39) RAF1BRAFMAPK14
SCHEMBL4725981 0.88 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4784021 0.87 RAF1 (0.51) RAF1BRAF
SCHEMBL4728030 0.87 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4725596 0.86 MAPK14 (0.40) RAF1BRAFMAPK14
SCHEMBL4729144 0.84 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL4730324 0.84 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL14293642 0.83 KIT (0.38) RAF1BRAFMAPK14
SCHEMBL4730967 0.83 RAF1 (0.44) RAF1BRAFMAPK14
SCHEMBL4726042 0.82 MAPK14 (0.42) 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 1 patent. 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