SCHEMBL5749050

SCHEMBL5749050

CC(C)[C@@H](C)Nc1c(-c2ccc(C#N)cc2Cl)c(Cl)nc2c(OC(=O)O)cnn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.35
NR3C1 P04150 2/20 0.33
CYP11B2 P19099 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP11B1 P15538 1/20 0.33
CDK2 P24941 1/20 0.32
CYP19A1 P11511 1/20 0.31
CRHR1 P34998 1/20 0.31
PDE9A O76083 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
PDE5A O76074 1/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL5774051 1.00 EGLN2 (0.35) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL5768799 0.93 EGLN2 (0.37) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL5771739 0.93 EGLN2 (0.37) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL4513063 0.88 EGLN2 (0.37) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL4493595 0.88 EGLN2 (0.37) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL4499615 0.85 MAPT (0.36) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL4506052 0.85 MAPT (0.36) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL5290255 0.81 CRHR1 (0.38) CRHR1
SCHEMBL5775424 0.79 EGLN2 (0.41) EGLN2NR3C1CYP11B2SLC22A12CYP11B1
SCHEMBL13613292 0.77 IRAK4 (0.36) EGLN2NR3C1SLC22A12PDE9AMEN1

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-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed