SCHEMBL4551597

SCHEMBL4551597

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.60
RAF1 P04049 8/20 0.53
BRAF P15056 8/20 0.53
NAMPT P43490 2/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLOD2 O00469 1/20 0.48
PLOD3 O60568 1/20 0.48
PLOD1 Q02809 1/20 0.48
SMO Q99835 1/20 0.47

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
SCHEMBL5603999 0.91 MAPK14 (0.53) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4551596 0.90 NAMPT (0.54) MAPK14RAF1BRAFNAMPTPLOD2
SCHEMBL4408316 0.89 MAPK14 (0.49) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4551494 0.89 MAPK14 (0.51) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4413471 0.89 RAF1 (0.58) MAPK14RAF1BRAF
SCHEMBL4408526 0.85 RAF1 (0.57) MAPK14RAF1BRAF
SCHEMBL4410223 0.85 MAPK14 (0.47) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4411272 0.85 MAPK14 (0.46) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL4420790 0.84 MEN1 (0.55) RAF1BRAFNAMPTSMN1; SMN2
SCHEMBL4418552 0.83 MAPK14 (0.44) MAPK14RAF1BRAFNAMPTTP53

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