SCHEMBL4419832

SCHEMBL4419832

CNC(=O)c1cc(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KIT P10721 1/20 0.41
ATR Q13535 2/20 0.41
NAMPT P43490 1/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
BRD4 O60885 1/20 0.40
RAF1 P04049 7/20 0.39
BRAF P15056 7/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BTK Q06187 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL14534456 0.81 KCNQ3 (0.49) HDAC3HDAC6KITLCKKDR
SCHEMBL14534679 0.79 KCNQ3 (0.43) LCKMAPK14RAF1BRAFBTK
SCHEMBL4411197 0.78 BRAF (0.35) HDAC3HDAC6RAF1BRAFMEN1
SCHEMBL4414329 0.77 BRAF (0.43) RAF1BRAFBTK
SCHEMBL4729206 0.77 RAF1 (0.47) MAPK14RAF1BRAF
SCHEMBL14534461 0.77 CRHR1 (0.47) HDAC3HDAC6KITMAPK14BRAF
SCHEMBL14534459 0.75 BRAF (0.45) HDAC3HDAC6LMNAMAPTKIT
SCHEMBL4727373 0.74 RAF1 (0.47) MAPK14RAF1BRAFRXFP1
SCHEMBL5496963 0.74 MAPK14 (0.44) MAPTMAPK14
SCHEMBL4413435 0.73 MAPK14 (0.47) LMNAMAPTNAMPTMAPK14BRAF

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