SCHEMBL20748874

SCHEMBL20748874

CCOC(=O)c1c(C)nn2c1CB(C#N)CC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.36
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.35
PDE4B Q07343 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.33
P2RY12 Q9H244 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL20748843 0.83 POLB (0.31) POLB
SCHEMBL20748852 0.82 CSNK1D (0.31)
SCHEMBL20748867 0.76 PDE4D (0.35) PDE4DALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20748967 0.74 PDE4D (0.33) PDE4DALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20748908 0.73 PDE4D (0.33) PDE4DALDH1A1HSD17B10KDM4EHPGD
SCHEMBL21131230 0.70 PDE4D (0.42) PDE4DALDH1A1KDM4EHPGDPDE4B
SCHEMBL25113406 0.67 OGA (0.46) POLBMAPTP2RY12MEN1KMT2A
SCHEMBL18764828 0.66 PDE4D (0.50) PDE4DALDH1A1HSD17B10KDM4EHPGD
SCHEMBL24753973 0.66 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPK1MAPT
SCHEMBL18740105 0.64 PDE4D (0.44) PDE4DALDH1A1KDM4EHPGDPDE4B

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