SCHEMBL4551483

SCHEMBL4551483

CON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cnc1C)c1ccc(NCC2CCOCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.39
CRHR1 P34998 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
PLAU P00749 1/20 0.37
RAF1 P04049 7/20 0.37
BRAF P15056 5/20 0.37
SMO Q99835 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
SCHEMBL4551537 0.99 MAPK14 (0.39) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL5494098 0.95 CRHR1 (0.42) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL5490030 0.95 CRHR1 (0.42) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL14534448 0.91 HCAR3 (0.40) MAPK14PLAURAF1BRAFSMO
SCHEMBL4551889 0.90 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL5490935 0.88 CRHR1 (0.45) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL4551651 0.87 CRHR1 (0.45) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL4551763 0.87 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4416933 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL5495529 0.86 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11PLAU

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed