SCHEMBL6866067

SCHEMBL6866067

CCOc1cc(Cc2cnc(N)nc2N)cc(OS(=O)(=O)N(C)C)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.48

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
SCHEMBL6866298 0.92 DHFR (0.51) DHFR
SCHEMBL6557348 0.92 DHFR (0.56) DHFR
SCHEMBL6866235 0.90 DHFR (0.49) DHFR
SCHEMBL6871742 0.90 DHFR (0.52) DHFR
SCHEMBL6873516 0.89 DHFR (0.48) DHFR
SCHEMBL6871854 0.89 DHFR (0.53) DHFR
SCHEMBL6873909 0.89 DHFR (0.48) DHFR
SCHEMBL6556636 0.87 DHFR (0.46) DHFR
SCHEMBL6555801 0.87 DHFR (0.48) DHFR
SCHEMBL6871838 0.87 DHFR (0.48) 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-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed