SCHEMBL6875581

SCHEMBL6875581

CCOc1cc(Cc2cnc(N)nc2N)cc(OS(=O)(=O)N(C)CC)c1-c1ccc(N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.46

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
SCHEMBL6878283 0.93 DHFR (0.46) DHFR
SCHEMBL6871838 0.93 DHFR (0.48) DHFR
SCHEMBL6870585 0.91 DHFR (0.46) DHFR
SCHEMBL6878194 0.90 DHFR (0.49) DHFR
SCHEMBL6873186 0.89 DHFR (0.44) DHFR
SCHEMBL6871589 0.88 DHFR (0.48) DHFR
SCHEMBL6557483 0.87 DHFR (0.58) DHFR
SCHEMBL6866455 0.87 DHFR (0.48) DHFR
SCHEMBL6555634 0.86 DHFR (0.48) DHFR
SCHEMBL6555801 0.86 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