SCHEMBL6474571

SCHEMBL6474571

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1cnc(CNC(=O)CO)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.51
P2RX7 Q99572 1/20 0.41
ROCK2 O75116 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
STRADA Q7RTN6 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL6470783 0.89 MAPK14 (0.48) MAPK14P2RX7
SCHEMBL6471307 0.88 MAPK14 (0.48) MAPK14P2RX7
SCHEMBL6471639 0.84 MAPK14 (0.43) MAPK14
SCHEMBL6473011 0.84 MAPK14 (0.45) MAPK14P2RX7
SCHEMBL6471439 0.82 MAPK14 (0.40) MAPK14
SCHEMBL6471656 0.82 MAPK14 (0.40) MAPK14
SCHEMBL6471710 0.82 MAPK14 (0.41) MAPK14
SCHEMBL6474212 0.82 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474959 0.82 MAPK14 (0.49) MAPK14P2RX7
Hydrochloric Acid SCHEMBL6472381 0.82 MAPK14 (0.49) MAPK14P2RX7ROCK2MAPK12MAPK11

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