SCHEMBL6555409

SCHEMBL6555409

CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.64

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
SCHEMBL6555131 0.90 DHFR (0.63) DHFR
SCHEMBL6555538 0.90 DHFR (0.60) DHFR
SCHEMBL6556403 0.89 DHFR (0.55) DHFR
SCHEMBL6555401 0.89 DHFR (0.62) DHFR
SCHEMBL6557271 0.89 DHFR (0.59) DHFR
SCHEMBL6557512 0.89 DHFR (0.59) DHFR
SCHEMBL6556693 0.88 DHFR (0.61) DHFR
SCHEMBL6871742 0.88 DHFR (0.52) DHFR
SCHEMBL6557326 0.88 DHFR (0.61) DHFR
SCHEMBL6555356 0.88 DHFR (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1186328-C Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2005-01-26 CN disclosed
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