SCHEMBL4551976

SCHEMBL4551976

Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)on1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
MAPK14 Q16539 14/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4551975 0.90 L3MBTL1 (0.46) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL4541475 0.88 RAF1 (0.56) RAF1BRAFMAPK14
SCHEMBL5593544 0.87 RAF1 (0.59) RAF1BRAFMAPK14
SCHEMBL14473104 0.86 RAF1 (0.52) RAF1BRAFMAPK14
SCHEMBL4409940 0.86 RAF1 (0.53) RAF1BRAFMAPK14
SCHEMBL4551777 0.85 BRAF (0.51) RAF1BRAFMAPK14MAPTKDM4E
SCHEMBL4551704 0.85 MAPK14 (0.57) RAF1BRAFMAPK14
SCHEMBL5603999 0.85 MAPK14 (0.53) RAF1BRAFMAPK14
SCHEMBL4552283 0.85 RAF1 (0.56) RAF1BRAFMAPK14
SCHEMBL4565118 0.85 RAF1 (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 3 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed