SCHEMBL4462541

SCHEMBL4462541

Nc1ncc(Cc2cc(-c3ccccn3)no2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 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
SCHEMBL1791868 0.85 NOTUM (0.52)
SCHEMBL4453399 0.84 DHFR (0.40) DHFR
SCHEMBL4472365 0.84 DHFR (0.39) DHFR
SCHEMBL4462500 0.79 KDM4E (0.45) DHFR
SCHEMBL1794999 0.74 DHFR (0.49) DHFR
SCHEMBL2120922 0.73 NOTUM (0.62)
SCHEMBL30515661 0.72
SCHEMBL3958565 0.72
SCHEMBL4458392 0.71 DHFR (0.51) DHFR
SCHEMBL1314692 0.70 NOTUM (0.62)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed