SCHEMBL4729414

SCHEMBL4729414

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)CN3CCCCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.41
BRAF P15056 13/20 0.41
MAPK14 Q16539 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4727004 0.88 RAF1 (0.43) RAF1BRAFMAPK14
SCHEMBL4727823 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4728370 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4727320 0.84 CNR2 (0.42) RAF1BRAFMAPK14
SCHEMBL4730324 0.83 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4728030 0.83 MAPK14 (0.42) RAF1BRAFMAPK14MAPTSMN1; SMN2
SCHEMBL4728338 0.83 RAF1 (0.39) RAF1BRAFMAPK14ALDH1A1KDM4E
SCHEMBL4729989 0.83 MAPK14 (0.43) RAF1BRAFMAPK14MAPTSMN1; SMN2
SCHEMBL4783017 0.83 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL4725924 0.83 MAPK14 (0.43) 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