SCHEMBL6870783

SCHEMBL6870783

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6556693 0.87 DHFR (0.61) DHFR
SCHEMBL6555471 0.86 LMNA (0.54) DHFR
SCHEMBL6556628 0.86 DHFR (0.49) DHFR
SCHEMBL6555187 0.84 DHFR (0.53) DHFR
SCHEMBL6555237 0.84 DHFR (0.48) DHFRSMN1; SMN2
SCHEMBL6556667 0.84 DHFR (0.49) DHFRSMN1; SMN2
SCHEMBL7040898 0.83 DHFR (0.61) DHFR
SCHEMBL6555433 0.83 DHFR (0.52) DHFR
SCHEMBL6873545 0.83 DHFR (0.52) DHFR
SCHEMBL6556200 0.82 DHFR (0.48) DHFRSMN1; SMN2

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