SCHEMBL6555546

SCHEMBL6555546

CCOc1cc(Cc2cnc(N)nc2N)cc(OCC2CC2)c1-c1ccc(OCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.49
PKM P14618 1/20 0.43

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
SCHEMBL6555093 0.88 DHFR (0.56) DHFR
SCHEMBL6555338 0.88 DHFR (0.51) DHFR
SCHEMBL6556505 0.88 DHFR (0.51) DHFRPKM
SCHEMBL6555330 0.87 DHFR (0.53) DHFR
SCHEMBL7570643 0.86 DHFR (0.52) DHFR
SCHEMBL6556388 0.86 DHFR (0.52) DHFR
SCHEMBL6556630 0.84 DHFR (0.52) DHFRPKM
SCHEMBL6873327 0.84 DHFR (0.49) DHFR
SCHEMBL6557367 0.84 DHFR (0.47) DHFR
SCHEMBL6556603 0.83 DHFR (0.57) 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 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