SCHEMBL19633727

SCHEMBL19633727

COCCOc1nc(N)c2ncn(Cc3ccc(C(=O)O)cc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.54
TLR7 Q9NYK1 8/20 0.50
NUDT1 P36639 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
EP300 Q09472 2/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL19539669 0.91 YTHDC1 (0.59) YTHDC1TLR7NUDT1HDAC1HDAC4
SCHEMBL24366542 0.90 TLR7 (0.62) YTHDC1TLR7HDAC1HDAC4HDAC6
SCHEMBL13728532 0.88 YTHDC1 (0.56) YTHDC1TLR7NUDT1PDE4APDE4B
SCHEMBL509407 0.87 TLR7 (0.64) YTHDC1TLR7NUDT1PDE4APDE4B
SCHEMBL17154082 0.86 TLR7 (0.52) YTHDC1TLR7NUDT1PDE4APDE4B
SCHEMBL16481581 0.86 TLR7 (0.52) TLR7NUDT1PDE4APDE4BPDE4C
SCHEMBL19539672 0.85 TLR7 (0.49) TLR7NUDT1PDE4APDE4BPDE4C
SCHEMBL7206653 0.85 TLR7 (0.51) TLR7NUDT1PDE4APDE4BPDE4C
SCHEMBL4425489 0.82 TLR7 (0.59) TLR7NUDT1
SCHEMBL31126376 0.82 TLR7 (0.59) TLR7NUDT1

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
WO-2017197624-A1 PURINE-SCAFFOLD TLR7 LIGANDS AND CONJUGATE THEREOF SHENZHEN HORNETCORN BIOTECHNOLOGY COMPANY,CO., LTD (CN) 2017-11-23 WO disclosed