SCHEMBL13613292

SCHEMBL13613292

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
EGLN2 Q96KS0 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 3/20 0.34
NR3C1 P04150 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TNF P01375 3/20 0.33
EIF4E P06730 1/20 0.33
PDE9A O76083 1/20 0.32
GPR6 P46095 1/20 0.32
DPP4 P27487 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 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
SCHEMBL13613336 0.93 ALDH1A1 (0.38) IRAK4EGLN2SLC22A12KDM4ENR3C1
SCHEMBL4493595 0.89 EGLN2 (0.37) EGLN2SLC22A12KDM4ENR3C1TNF
SCHEMBL4513063 0.89 EGLN2 (0.37) EGLN2SLC22A12KDM4ENR3C1TNF
SCHEMBL4503659 0.85 SLC22A12 (0.36) IRAK4EGLN2SLC22A12KDM4ENR3C1
SCHEMBL4493601 0.83 TP53 (0.39) IRAK4EGLN2SLC22A12KDM4EEIF4E
SCHEMBL4506052 0.81 MAPT (0.36) IRAK4EGLN2SLC22A12KDM4ENR3C1
SCHEMBL4499615 0.81 MAPT (0.36) IRAK4EGLN2SLC22A12KDM4ENR3C1
SCHEMBL14463731 0.79 CDK2 (0.42) KDM4E
SCHEMBL4514267 0.78 DPP4 (0.38) EGLN2SLC22A12KDM4EEIF4EDPP4
SCHEMBL3531293 0.78 DPP4 (0.42) KDM4EDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed