SCHEMBL7004096

SCHEMBL7004096

CCOC(=O)c1cn(-c2ccc(F)cc2C)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.52
PIM1 P11309 1/20 0.46
IRAK1 P51617 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
PIM3 Q86V86 1/20 0.46
HTT P42858 1/20 0.46
ROCK2 O75116 1/20 0.44
CDK1 P06493 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCD Q05655 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
KMT2A Q03164 3/20 0.42

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
SCHEMBL7004211 0.93 STAT3 (0.53) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7011343 0.92 STAT3 (0.52) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL6578888 0.92 STAT3 (0.54) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7005352 0.90 STAT3 (0.51) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7006394 0.90 STAT3 (0.51) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL19728615 0.90 STAT3 (0.50) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL7005983 0.88 HTT (0.56) STAT3PIM1HTTKMT2AKDM4E
SCHEMBL7011670 0.87 STAT3 (0.53) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL6578628 0.86 STAT3 (0.52) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL10472475 0.85 STAT3 (0.62) STAT3PIM1IRAK1CAMK2BCAMK2G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed