SCHEMBL6557484

SCHEMBL6557484

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6555393 0.89 DHFR (0.43) DHFRSMN1; SMN2
SCHEMBL6556732 0.88 DHFR (0.47) DHFR
SCHEMBL6556200 0.88 DHFR (0.48) DHFRSMN1; SMN2
SCHEMBL6555392 0.88 DHFR (0.49) DHFR
SCHEMBL6555425 0.88 DHFR (0.43) DHFR
SCHEMBL6555496 0.84 DHFR (0.46) DHFR
SCHEMBL6557513 0.83 DHFR (0.46) DHFR
SCHEMBL6557332 0.82 DHFR (0.52) DHFRSMN1; SMN2
SCHEMBL6555484 0.82 DHFR (0.48) DHFR
SCHEMBL6556667 0.81 DHFR (0.49) 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 2 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