Sugi Predict

Sugi Predict / Compounds / SCHEMBL825914

SCHEMBL825914

SCHEMBL825914

CCOc1nc(N)nc2ccc(-c3cc(C(N)=O)ccc3-c3nc(S(=O)(=O)O)cn3C)nc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.34
▸ AGPAT2 O15120 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ RPS27 P42677 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL826074 0.83 CHEK2 (0.39) CHEK2AGPAT2DHFRRPS27MAPK8
SCHEMBL826092 0.78 CHEK2 (0.36) CHEK2AGPAT2DHFRRPS27MAPK8
SCHEMBL825976 0.77 CHEK2 (0.36) CHEK2AGPAT2DHFRRPS27MAPK8
SCHEMBL825682 0.76 CHEK2 (0.35) CHEK2AGPAT2DHFRRPS27MAPK8
SCHEMBL4425330 0.74 CHEK2 (0.45) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL4414487 0.73 MAP4K4 (0.45) CHEK2DHFRMAPK8
SCHEMBL4525891 0.67 TLR8 (0.40) DHFRHSP90AA1
SCHEMBL4524543 0.67 MAPT (0.55) AGPAT2DHFRHSP90AA1
SCHEMBL4534714 0.66 ADORA2A (0.42) DHFRMAPK1
SCHEMBL4523975 0.66 MAPT (0.37) DHFR

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
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 — — US disclosed