SCHEMBL4779417

SCHEMBL4779417

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCc2cccnc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPT P10636 1/20 0.43
RAF1 P04049 4/20 0.42
BRAF P15056 3/20 0.42
NAMPT P43490 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DHODH Q02127 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL4779406 0.91 RXFP1 (0.42) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4728307 0.85 RAF1 (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4778221 0.85 RAF1 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4781167 0.84 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4783406 0.83 RXFP1 (0.40) MAPK14MAPTNAMPTRXFP1DHODH
SCHEMBL4780448 0.83 RAF1 (0.43) MAPK14RAF1BRAF
SCHEMBL4727303 0.83 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4783679 0.82 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4783075 0.82 PLAU (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4781500 0.81 PLAU (0.41) MAPK14MAPK13MAPK12MAPK11RAF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed