SCHEMBL6556667

SCHEMBL6556667

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.49
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6556200 0.93 DHFR (0.48) DHFRSMN1; SMN2
SCHEMBL6557179 0.93 DHFR (0.51) DHFR
SCHEMBL6555383 0.90 DHFR (0.53) DHFR
SCHEMBL6873545 0.90 DHFR (0.52) DHFR
SCHEMBL6555433 0.90 DHFR (0.52) DHFR
SCHEMBL6555192 0.90 SMN1; SMN2 (0.47) DHFRSMN1; SMN2
SCHEMBL6865954 0.90 DHFR (0.46) DHFRSMN1; SMN2
SCHEMBL6555237 0.89 DHFR (0.48) DHFRSMN1; SMN2
SCHEMBL6871272 0.89 DHFR (0.47) DHFR
SCHEMBL6556693 0.88 DHFR (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed