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Sugi Predict / Compounds / SCHEMBL4781803

SCHEMBL4781803

SCHEMBL4781803

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.50
▸ MAPK13 O15264 1/20 0.50
▸ HSPB1 P04792 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ RAF1 P04049 11/20 0.48
▸ BRAF P15056 10/20 0.48
▸ NAMPT P43490 2/20 0.46

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
SCHEMBL4727827 0.89 MAPK14 (0.56) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4729392 0.87 MAPK14 (0.54) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4727078 0.86 RAF1 (0.50) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4847527 0.86 RAF1 (0.47) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL4728328 0.85 RAF1 (0.54) MAPK14RAF1BRAF
SCHEMBL4727198 0.84 RAF1 (0.51) MAPK14RAF1BRAF
SCHEMBL4781805 0.84 RAF1 (0.47) RAF1BRAF
SCHEMBL4781325 0.83 RAF1 (0.55) RAF1BRAF
SCHEMBL4727293 0.83 RAF1 (0.55) MAPK14RAF1BRAF
SCHEMBL4783075 0.82 PLAU (0.42) 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