Sugi Predict

Sugi Predict / Compounds / SCHEMBL6526720

SCHEMBL6526720

SCHEMBL6526720

Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1C(C)c1ccc(CO)cc1.Cc1ccc(C(N)=O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.76
▸ ROCK2 O75116 1/20 0.63
▸ MAPK12 P53778 1/20 0.63
▸ MAPK11 Q15759 1/20 0.63
▸ STRADA Q7RTN6 1/20 0.63

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
SCHEMBL6473468 0.87 MAPK14 (1.00) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6475718 0.86 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6502226 0.86 MAPK14 (0.59) MAPK14
SCHEMBL4377211 0.82 MAPK14 (0.74) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594904 0.82 MAPK14 (0.74) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593368 0.82 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4379683 0.82 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593450 0.81 MAPK14 (0.88) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4378599 0.81 MAPK14 (0.88) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471914 0.81 MAPK14 (0.59) MAPK14ROCK2MAPK12MAPK11STRADA

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 — — WO claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 — — WO disclosed