SCHEMBL4551775

SCHEMBL4551775

COc1cccc(CNC(=O)c2cc(-c3cc(Nc4cc(F)cc(N5CCOCC5)c4)ccc3C)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
STAT6 P42226 1/20 0.43
RAF1 P04049 4/20 0.42
BRAF P15056 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK11 Q15759 1/20 0.39
USP2 O75604 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
SCHEMBL5604081 0.94 RAF1 (0.42) MAPTPOLBKDM4ERAF1BRAF
SCHEMBL4541474 0.90 RAF1 (0.42) KDM4ERAF1BRAFMAPK14
SCHEMBL4551777 0.90 BRAF (0.51) MAPTPOLBKDM4ERAF1BRAF
SCHEMBL4551605 0.90 POLB (0.46) MAPTPOLBKDM4ESTAT6RAF1
SCHEMBL5603996 0.87 NAMPT (0.45) MAPTRAF1BRAFMAPK14MAPK11
SCHEMBL4551565 0.87 MAPT (0.39) MAPTKDM4ERAF1BRAFNPC1
SCHEMBL4551493 0.85 NAMPT (0.43) MAPTRAF1BRAFMAPK14MAPK11
SCHEMBL4551975 0.85 L3MBTL1 (0.46) MAPTPOLBKDM4ENPC1RAB9A
SCHEMBL4551703 0.84 MAPK14 (0.48) POLBRAF1BRAFMAPK14
SCHEMBL4552281 0.83 RAF1 (0.45) 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
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