SCHEMBL13613336

SCHEMBL13613336

COC(=O)c1cnn2c(N[C@@H](C)C(F)(F)F)c(-c3ccc(C#N)cc3Cl)c(Cl)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CASP1 P29466 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP7 P55210 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C1 P04150 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.35

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
SCHEMBL13613292 0.93 IRAK4 (0.36) KDM4EKMT2AMEN1NR3C1IRAK4
SCHEMBL4506052 0.89 MAPT (0.36) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL4499615 0.89 MAPT (0.36) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL4499619 0.84 TP53 (0.38) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL4510189 0.83 MAPT (0.41) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL4513063 0.81 EGLN2 (0.37) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL4493595 0.81 EGLN2 (0.37) KDM4EHSD17B10TSHRGAASMN1; SMN2
SCHEMBL4505734 0.80 EGLN2 (0.40) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL3536230 0.79 DPP4 (0.40) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL4507978 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10CASP1

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