SCHEMBL4229598

SCHEMBL4229598

CC(C)Nc1nc(-n2cc(C#N)cn2)nc(Cl)c1-c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
IRAK4 Q9NWZ3 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
GALR3 O60755 1/20 0.33
MAPK14 Q16539 3/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.31
STAT6 P42226 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4232907 0.80 EGLN1 (0.40) MAPK14CNR1CNR2
SCHEMBL4232192 0.76 EGLN1 (0.37) HPGDLMNA
SCHEMBL4225596 0.71 KMT2A (0.35) ALDH1A1MEN1MAPTKMT2ACNR1
SCHEMBL4225599 0.69 MAT2A (0.33) ALDH1A1LMNACNR1CNR2
SCHEMBL4225977 0.68 HSP90AA1 (0.45) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4231053 0.67 CXCL8 (0.32) KMT2ALMNACNR1CNR2
SCHEMBL4219785 0.66 GLP1R (0.42) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4231314 0.66 MAPK14 (0.36) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL4219849 0.66 KMT2A (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL27686519 0.65 BCHE (0.41) KDM4EALDH1A1L3MBTL1POLBPDE10A

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
EP-2092824-A1 Heterocyclyl pyrimidines Bayer CropScience AG (DE) 2009-08-26 EP disclosed