SCHEMBL5290255

SCHEMBL5290255

CC(C)Nc1c(-c2ccc(Cl)cc2Cl)c(Cl)nc2c(OC(=O)O)cnn12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.38
SHMT1 P34896 2/20 0.37
SHMT2 P34897 2/20 0.37
ALPL P05186 1/20 0.36
CNR1 P21554 1/20 0.35
DPP4 P27487 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KMO O15229 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3531293 0.86 DPP4 (0.42) CRHR1SHMT1SHMT2ALPLDPP4
SCHEMBL3260212 0.85 CRHR1 (0.33) CRHR1
SCHEMBL3536230 0.83 DPP4 (0.40) CRHR1ALPLCNR1DPP4SMN1; SMN2
SCHEMBL5749050 0.81 EGLN2 (0.35) CRHR1
SCHEMBL5774051 0.81 EGLN2 (0.35) CRHR1
SCHEMBL3538350 0.80 SCN9A (0.41) ALPLCNR1DPP4
SCHEMBL5291917 0.79 CNR1 (0.37) CRHR1SHMT1SHMT2ALPLCNR1
SCHEMBL4019201 0.77 CRHR1 (0.33) CRHR1
SCHEMBL5768799 0.74 EGLN2 (0.37)
SCHEMBL4018674 0.73 NPSR1 (0.37)

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-1853607-A2 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2007-11-14 EP disclosed
WO-2006087120-A2 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO disclosed