SCHEMBL4551777

SCHEMBL4551777

COc1cccc(CNC(=O)c2cc(-c3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)no2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.51
RAF1 P04049 8/20 0.51
MAPK14 Q16539 9/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 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
SCHEMBL4409940 0.94 RAF1 (0.53) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL4541475 0.91 RAF1 (0.56) BRAFRAF1MAPK14
SCHEMBL14473104 0.90 RAF1 (0.52) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL4551775 0.90 MAPT (0.48) BRAFRAF1MAPK14MAPTKDM4E
SCHEMBL4551606 0.90 MAPT (0.47) BRAFRAF1MAPK14MAPTKDM4E
SCHEMBL5603999 0.87 MAPK14 (0.53) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL4551566 0.87 BRAF (0.49) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL5593544 0.86 RAF1 (0.59) BRAFRAF1MAPK14
SCHEMBL4551494 0.85 MAPK14 (0.51) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL4551976 0.85 RAF1 (0.52) BRAFRAF1MAPK14MAPTKDM4E

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