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Sugi Predict / Compounds / SCHEMBL5487361

SCHEMBL5487361

SCHEMBL5487361

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(NCC2CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.47
▸ CRHR1 P34998 1/20 0.46
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ RAF1 P04049 4/20 0.44
▸ BRAF P15056 4/20 0.44
▸ PLAU P00749 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
SCHEMBL4408418 0.98 CRHR1 (0.48) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL5490935 0.96 CRHR1 (0.45) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL14534670 0.95 MAPK14 (0.46) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL4551651 0.95 CRHR1 (0.45) MAPK14CRHR1MAPK13MAPK12MAPK11
SCHEMBL5490598 0.91 CRHR1 (0.50) MAPK14CRHR1
SCHEMBL4551612 0.90 RAF1 (0.52) MAPK14RAF1BRAF
SCHEMBL5489512 0.90 CRHR1 (0.49) MAPK14CRHR1RAF1
SCHEMBL4565879 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5487267 0.89 CRHR1 (0.47) MAPK14CRHR1
SCHEMBL5488464 0.89 CRHR1 (0.47) MAPK14CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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