SCHEMBL20748901

SCHEMBL20748901

CCOC(=O)c1c(C)nn2c1C(=O)NCC2CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 5/20 0.40
PDE4D Q08499 4/20 0.38
CYP1A2 P05177 1/20 0.34
PDE4B Q07343 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
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
SCHEMBL16699674 0.88 PLAT (0.34) PLATPDE4DCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL16700012 0.72 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL21130895 0.72 PDE4D (0.41) PLATPDE4DCYP1A2PDE4BMAPK1
SCHEMBL20740170 0.72
SCHEMBL20748902 0.68 PDE4D (0.39) PLATPDE4DCYP1A2PDE4BMAPK1
SCHEMBL23883533 0.66 PDE4D (0.47) PLATPDE4DCYP1A2PDE4BMAPK1
SCHEMBL26099994 0.65 PDE4D (0.43) PLATPDE4DPDE4BMAPK1SMN1; SMN2
SCHEMBL20748971 0.65 PLAT (0.39) PLATPDE4DCYP1A2PDE4BMAPK1
SCHEMBL20748890 0.64 PLAT (0.39) PLATPDE4DPDE4BMAPK1SMN1; SMN2
SCHEMBL22286136 0.64 MAPK1 (0.50) PLATPDE4DPDE4BMAPK1SMN1; SMN2

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