SCHEMBL4574072

SCHEMBL4574072

COC[C@H](C)Oc1nc(N)nc2ccc(Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.47
DCPS Q96C86 2/20 0.47
MCHR1 Q99705 3/20 0.43
SLC2A1 P11166 1/20 0.39
TLR8 Q9NR97 5/20 0.35
TLR7 Q9NYK1 5/20 0.35
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4586307 1.00 DHFR (0.47) DHFRDCPSMCHR1SLC2A1TLR8
SCHEMBL4527100 0.83 SLC2A1 (0.36) DHFRDCPSSLC2A1MEN1MAPT
SCHEMBL823652 0.83 CDK1 (0.40) DHFRMCHR1SLC2A1TLR8CDK1
SCHEMBL4586309 0.80 SLC2A1 (0.40) DHFRMCHR1SLC2A1CDK1CCNB1
SCHEMBL4574076 0.80 SLC2A1 (0.40) DHFRMCHR1SLC2A1CDK1CCNB1
SCHEMBL823730 0.80 TSHR (0.43) DHFRTLR8TLR7
SCHEMBL3605187 0.78 DHFR (0.45) DHFRDCPSMCHR1SLC2A1TLR8
SCHEMBL3609927 0.78 DHFR (0.45) DHFRDCPSMCHR1SLC2A1TLR8
SCHEMBL3598709 0.77 MEN1 (0.36) MCHR1CDK1CDK2MEN1MAPT
SCHEMBL3607971 0.77 MEN1 (0.36) MCHR1CDK1CDK2MEN1MAPT

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-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed