SCHEMBL16722483

SCHEMBL16722483

CCOC(=O)c1c(I)nn2c1C(=O)CNC2CO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.34
PDE4D Q08499 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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 0.74 PLAT (0.34) PLATPDE4DCYP1A2TSHRSMN1; SMN2
SCHEMBL16701033 0.70 POLB (0.34) PLATPDE4DCYP1A2TSHRSMN1; SMN2
SCHEMBL16711364 0.68 ALDH1A1 (0.32) PLATPDE4DCYP1A2TSHRSMN1; SMN2
SCHEMBL16700630 0.67 KMT2A (0.35) PLATPDE4DCYP1A2TSHRSMN1; SMN2
SCHEMBL16699032 0.66 ADORA3 (0.37) PLATPDE4DCYP1A2TSHRHTT
SCHEMBL16711515 0.66 ALDH1A1 (0.33) PDE4DTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16699535 0.65 PDE4D (0.35) PLATPDE4DCYP1A2TSHRSMN1; SMN2
SCHEMBL16699755 0.64 PLAT (0.34) PLATPDE4DCYP1A2SMN1; SMN2HTT
SCHEMBL16711267 0.64 PLAT (0.34) PLATPDE4DCYP1A2SMN1; SMN2HTT
SCHEMBL16700012 0.64 ALDH1A1 (0.31) TSHRSMN1; SMN2ALDH1A1HPGDNPSR1

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-3068784-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed