SCHEMBL4565782

SCHEMBL4565782

CC(=O)Nc1cc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.43
RAF1 P04049 14/20 0.43
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
KDR P35968 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL4410213 0.92 RAF1 (0.42) BRAFRAF1MAPT
SCHEMBL4410934 0.90 RAF1 (0.44) BRAFRAF1MEN1KMT2ATRPV1
SCHEMBL4552227 0.90 RAF1 (0.44) BRAFRAF1
SCHEMBL5593338 0.89 RAF1 (0.44) BRAFRAF1TRPV1
SCHEMBL4408574 0.89 RAF1 (0.44) BRAFRAF1MEN1KMT2ATRPV1
SCHEMBL4411086 0.88 NR1H4 (0.46) BRAFRAF1MAPK14MEN1MAPT
SCHEMBL4407783 0.88 RAF1 (0.40) BRAFRAF1MAPT
SCHEMBL4410316 0.88 RAF1 (0.43) BRAFRAF1MAPT
SCHEMBL4565727 0.87 NR1H4 (0.48) BRAFRAF1MAPK14MAPK13KDR
SCHEMBL4415077 0.86 RAF1 (0.52) BRAFRAF1

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 4 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed