SCHEMBL4779979

SCHEMBL4779979

COCc1cn(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)nn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
PLAU P00749 1/20 0.47
RAF1 P04049 8/20 0.46
BRAF P15056 8/20 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
SCHEMBL4781167 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4780195 0.85 RAF1 (0.49) MAPK14PLAURAF1BRAF
SCHEMBL4783679 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4728307 0.83 RAF1 (0.45) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4782138 0.83 RAF1 (0.42) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4778221 0.82 RAF1 (0.43) MAPK14MAPK13MAPK12MAPK11PLAU
SCHEMBL4781705 0.82 BRAF (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4780448 0.81 RAF1 (0.43) MAPK14PLAURAF1BRAF
SCHEMBL4781361 0.81 ACKR3 (0.45) MAPK14PLAURAF1BRAF
SCHEMBL4779417 0.81 MAPK14 (0.49) 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