SCHEMBL14009779

SCHEMBL14009779

CCOP(=O)(CCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)OCC

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.65

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
SCHEMBL13803984 0.89 DHFR (0.62) DHFR
SCHEMBL14417306 0.89 DHFR (0.73) DHFR
SCHEMBL24192873 0.89 DHFR (0.73) DHFR
SCHEMBL17011394 0.87 DHFR (0.75) DHFR
SCHEMBL29578377 0.87 DHFR (0.75) DHFR
SCHEMBL24343655 0.86 DHFR (0.71) DHFR
SCHEMBL24343680 0.85 DHFR (0.68) DHFR
SCHEMBL20286623 0.85 DHFR (0.72) DHFR
SCHEMBL3176848 0.84 DHFR (0.73) DHFR
SCHEMBL13530096 0.84 DHFR (0.73) 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
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed