SCHEMBL13045320

SCHEMBL13045320

Cc1c(NC(=O)c2ccccn2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.81

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
SCHEMBL13046940 0.90 MAP2K1 (0.79) MAP2K1
SCHEMBL3692182 0.90 MAP2K1 (1.00) MAP2K1
SCHEMBL3687441 0.90 MAP2K1 (0.89) MAP2K1
SCHEMBL3685036 0.90 MAP2K1 (0.78) MAP2K1
SCHEMBL3693547 0.88 MAP2K1 (0.90) MAP2K1
SCHEMBL3689499 0.88 MAP2K1 (0.86) MAP2K1
SCHEMBL3691531 0.88 MAP2K1 (1.00) MAP2K1
SCHEMBL13046949 0.88 MAP2K1 (0.78) MAP2K1
SCHEMBL3690081 0.87 MAP2K1 (0.73) MAP2K1
SCHEMBL3684249 0.87 MAP2K1 (0.84) 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