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Sugi Predict / Compounds / SCHEMBL4544153

SCHEMBL4544153

SCHEMBL4544153

Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCC2CCOCC2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.55
▸ BRAF P15056 5/20 0.55
▸ MAPK14 Q16539 15/20 0.51
▸ MAPK13 O15264 2/20 0.51
▸ MAPK12 P53778 2/20 0.51
▸ MAPK11 Q15759 2/20 0.51
▸ HSPB1 P04792 1/20 0.51

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
SCHEMBL14473262 0.95 RAF1 (0.54) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL14473260 0.90 RAF1 (0.53) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4544150 0.89 USP30 (0.44) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4541538 0.88 RAF1 (0.56) RAF1BRAFMAPK14
SCHEMBL5593458 0.87 BRAF (0.61) RAF1BRAFMAPK14
SCHEMBL4566569 0.86 RAF1 (0.55) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL14473261 0.86 RAF1 (0.56) RAF1BRAFMAPK14
SCHEMBL4412542 0.82 RAF1 (0.54) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL4727827 0.79 MAPK14 (0.56) RAF1BRAFMAPK14MAPK13MAPK12
SCHEMBL5592994 0.78 RAF1 (0.48) RAF1BRAF

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
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