SCHEMBL20748971

SCHEMBL20748971

CCOC(=O)c1c(C)nn2c1C(=O)NC(C1CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAT P00750 6/20 0.39
PDE4D Q08499 4/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPK1 P28482 1/20 0.33
GRK6 P43250 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2B P29275 1/20 0.32
KMT2A Q03164 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
SCHEMBL16699755 0.88 PLAT (0.34) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL20748902 0.84 PDE4D (0.39) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL20748890 0.80 PLAT (0.39) PLATPDE4DALDH1A1KDM4EPDE4B
SCHEMBL20748999 0.77 PDE4D (0.38) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL21130895 0.76 PDE4D (0.41) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL16700630 0.72 KMT2A (0.35) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL16701033 0.71 POLB (0.34) PLATPDE4DALDH1A1CYP1A2MAPK1
SCHEMBL16711267 0.70 PLAT (0.34) PLATPDE4DALDH1A1CYP1A2MAPK1
SCHEMBL16700427 0.69 KMT2A (0.37) PLATPDE4DALDH1A1CYP1A2KDM4E
SCHEMBL16700126 0.68 PDE4D (0.33) PLATPDE4DALDH1A1CYP1A2KDM4E

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