SCHEMBL13045339

SCHEMBL13045339

COCCNC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4cccc(I)c4)cc3)c2c1C

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.69

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
SCHEMBL3685547 0.93 MAP2K1 (0.79) MAP2K1
SCHEMBL3686689 0.92 MAP2K1 (0.78) MAP2K1
SCHEMBL3688272 0.91 MAP2K1 (0.69) MAP2K1
SCHEMBL3686507 0.90 MAP2K1 (0.69) MAP2K1
SCHEMBL3682244 0.88 MAP2K1 (0.67) MAP2K1
SCHEMBL3694304 0.88 MAP2K1 (0.75) MAP2K1
SCHEMBL3685085 0.86 MAP2K1 (0.79) MAP2K1
SCHEMBL3685556 0.85 MAP2K1 (0.78) MAP2K1
SCHEMBL3694975 0.84 MAP2K1 (0.75) MAP2K1
SCHEMBL3684912 0.84 MAP2K1 (0.75) MAP2K1

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
EP-1578351-B1 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2010-12-08 EP disclosed