SCHEMBL6556772

SCHEMBL6556772

CCOc1cc(Cc2cnc(N)nc2N)cc(OC(C)C)c1-c1ccc(OCOC)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.53
LMNA P02545 1/20 0.47

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
SCHEMBL6557341 0.93 DHFR (0.60) DHFR
SCHEMBL6556589 0.92 DHFR (0.58) DHFR
SCHEMBL6557151 0.91 LMNA (0.58) DHFRLMNA
SCHEMBL6875102 0.88 DHFR (0.46) DHFR
SCHEMBL6555245 0.87 DHFR (0.55) DHFR
SCHEMBL6555187 0.87 DHFR (0.53) DHFR
SCHEMBL6555466 0.86 NTRK1 (0.53) DHFR
SCHEMBL6555338 0.85 DHFR (0.51) DHFR
SCHEMBL6555422 0.85 DHFR (0.50) DHFR
SCHEMBL6555229 0.85 DHFR (0.50) 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