SCHEMBL4586309

SCHEMBL4586309

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.40
DHFR P00374 10/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
MCHR1 Q99705 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
SCHEMBL4574076 1.00 SLC2A1 (0.40) SLC2A1DHFRCDK1CCNB1CCNA2
SCHEMBL4527100 0.85 SLC2A1 (0.36) SLC2A1DHFR
SCHEMBL823652 0.81 CDK1 (0.40) SLC2A1DHFRCDK1CCNB1CCNA2
SCHEMBL4574072 0.80 DHFR (0.47) SLC2A1DHFRCDK1CCNB1CCNA2
SCHEMBL4586307 0.80 DHFR (0.47) SLC2A1DHFRCDK1CCNB1CCNA2
SCHEMBL823646 0.79 SMN1; SMN2 (0.39) SLC2A1DHFR
SCHEMBL3605191 0.78 DHFR (0.35) SLC2A1DHFR
SCHEMBL3609932 0.78 DHFR (0.35) SLC2A1DHFR
SCHEMBL3598713 0.77 CYP1A2 (0.35)
SCHEMBL3607975 0.77 CYP1A2 (0.35)

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