SCHEMBL20748906

SCHEMBL20748906

CCOC(=O)c1c(C)nn2c1CNC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.40
PLAT P00750 1/20 0.37
PDE4B Q07343 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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 0.87 PDE4D (0.35) PDE4DPLATALDH1A1GAAPOLB
SCHEMBL20748999 0.84 PDE4D (0.38) PDE4DPLATPDE4BMAPK1ALDH1A1
SCHEMBL21131230 0.76 PDE4D (0.42) PDE4DPLATPDE4BMAPK1ALDH1A1
SCHEMBL20748902 0.75 PDE4D (0.39) PDE4DPLATPDE4BMAPK1ALDH1A1
SCHEMBL27152236 0.73 KMT2A (0.46) ALDH1A1GAAPOLBKDM4ELMNA
SCHEMBL16700126 0.72 PDE4D (0.33) PDE4DPLATALDH1A1GAAPOLB
SCHEMBL20748867 0.72 PDE4D (0.35) PDE4DPLATPDE4BMAPK1ALDH1A1
SCHEMBL16708954 0.70
SCHEMBL18740105 0.67 PDE4D (0.44) PDE4DPLATPDE4BMAPK1ALDH1A1
SCHEMBL20748966 0.67

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-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
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