SCHEMBL5604081

SCHEMBL5604081

COc1cc(CNC(=O)c2cc(-c3cc(Nc4cc(F)cc(N5CCOCC5)c4)ccc3C)no2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.42
BRAF P15056 6/20 0.42
MAPK14 Q16539 7/20 0.40
PLAU P00749 1/20 0.40
WDR5 P61964 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
EPHB4 P54760 1/20 0.39

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
SCHEMBL4551775 0.94 MAPT (0.48) RAF1BRAFMAPK14MAPTKDM4E
SCHEMBL4409940 0.90 RAF1 (0.53) RAF1BRAFMAPK14
SCHEMBL4541474 0.89 RAF1 (0.42) RAF1BRAFMAPK14PLAUWDR5
SCHEMBL4551703 0.86 MAPK14 (0.48) RAF1BRAFMAPK14PLAUPOLB
SCHEMBL5603996 0.86 NAMPT (0.45) RAF1BRAFMAPK14MAPT
SCHEMBL4551565 0.86 MAPT (0.39) RAF1BRAFMAPK14PLAUMAPT
SCHEMBL4552281 0.85 RAF1 (0.45) RAF1BRAFMAPK14PLAU
SCHEMBL4551975 0.85 L3MBTL1 (0.46) MAPTKDM4EPOLB
SCHEMBL4551605 0.84 POLB (0.46) RAF1BRAFMAPK14MAPTKDM4E
SCHEMBL4551892 0.84 RAF1 (0.44) RAF1BRAFMAPK14PLAUEPHB4

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed