SCHEMBL4565727

SCHEMBL4565727

Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
BRAF P15056 16/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
KDR P35968 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
RAF1 P04049 16/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EPHA3 P29320 1/20 0.45
FRK P42685 1/20 0.45

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
SCHEMBL4565578 0.94 RAF1 (0.46) BRAFRAF1
SCHEMBL4407858 0.93 RAF1 (0.55) BRAFRAF1
SCHEMBL4412586 0.91 RAF1 (0.46) BRAFRAF1
SCHEMBL4417419 0.91 GLA (0.48) BRAFRAF1
SCHEMBL4411086 0.91 NR1H4 (0.46) NR1H4BRAFMAPK14RAF1EPHA3
SCHEMBL4412688 0.90 RAF1 (0.45) BRAFRAF1
SCHEMBL4408307 0.89 RAF1 (0.42) BRAFRAF1
SCHEMBL4551203 0.89 CYP1A2 (0.45) BRAFRAF1
SCHEMBL4565699 0.89 BRAF (0.45) BRAFMAPK14MAPK13KDRMAPK12
SCHEMBL4565940 0.88 FFAR1 (0.46) NR1H4BRAFMAPK14RAF1

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