SCHEMBL20748898

SCHEMBL20748898

CCOC(=O)c1c(I)nn2c1C(O)NC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.38
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 4/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.32
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.32
SCARB1 Q8WTV0 1/20 0.31
HPGD P15428 1/20 0.31
PLAT P00750 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16699535 0.77 PDE4D (0.35) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL16700630 0.76 KMT2A (0.35) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL16700126 0.67 PDE4D (0.33) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL16701033 0.67 POLB (0.34) PDE4DALDH1A1KMT2APOLBGAA
SCHEMBL23341748 0.67 CCNA2 (0.35) PDE4DALDH1A1KMT2AKDM4EMAPT
SCHEMBL16711267 0.66 PLAT (0.34) PDE4DALDH1A1KMT2APOLBGAA
SCHEMBL16699886 0.66 KMT2A (0.35) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL16699755 0.66 PLAT (0.34) PDE4DALDH1A1KMT2AKDM4EHTT
SCHEMBL20748906 0.66 PDE4D (0.40) PDE4DALDH1A1KMT2APOLBKDM4E
SCHEMBL16700326 0.66 ADORA1 (0.39) PDE4DALDH1A1KMT2AGAAMAPT

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-3068784-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-20 EP disclosed