SCHEMBL4695063

SCHEMBL4695063

Nc1nc(N)c2nc(CN(CCc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cnc2n1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.62

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
SCHEMBL3732718 0.82 DHFR (0.52) DHFR
SCHEMBL4814896 0.81 DHFR (0.70) DHFR
SCHEMBL5861648 0.79 DHFR (0.57) DHFR
SCHEMBL9621108 0.79 DHFR (0.51) DHFR
SCHEMBL11634253 0.78 CA1 (0.72) DHFR
SCHEMBL4685928 0.77 DHFR (0.61) DHFR
SCHEMBL3739935 0.76 DHFR (0.61) DHFR
SCHEMBL3745109 0.75 DHFR (0.80) DHFR
SCHEMBL11664759 0.75 DHFR (0.78) DHFR
SCHEMBL13598112 0.74 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549614-A4 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC (US) 2008-04-16 EP disclosed
EP-1549614-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF Targegen, Inc. (US) 2005-07-06 EP disclosed
WO-2004030635-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN, INC. (US) 2004-04-15 WO disclosed