SCHEMBL16705266

SCHEMBL16705266

CCOC(=O)Cn1cnc2c(=O)[nH]c(NC)nc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HPRT1 P00492 2/20 0.48
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.43
TK1 P04183 1/20 0.42

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
SCHEMBL10047129 0.90 TSHR (0.49) TSHRKMT2AMEN1HPRT1KDM4E
SCHEMBL10047093 0.81 TSHR (0.42) TSHRKMT2AMEN1HPRT1KDM4E
SCHEMBL28942682 0.78 TSHR (0.65) TSHRKMT2AMEN1HPRT1KDM4E
SCHEMBL21637053 0.77 MEN1 (0.46) TSHRKMT2AMEN1HPRT1TK1
SCHEMBL10076894 0.76 HPRT1 (0.45) TSHRKMT2AMEN1HPRT1KDM4E
SCHEMBL16705270 0.75 CDK1 (0.46) TSHRHPRT1KDM4ENPC1RAB9A
SCHEMBL12786366 0.75 PNP (0.70) TSHRKMT2AMEN1HPRT1LMNA
SCHEMBL10047125 0.75 MEN1 (0.46) TSHRKMT2AMEN1HPRT1TK1
SCHEMBL14611764 0.73 CDK1 (0.48) TSHRHPRT1KDM4ENPC1RAB9A
SCHEMBL5256051 0.72 HPRT1 (0.65) TSHRKMT2AMEN1HPRT1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268607-B9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-05-13 EP disclosed