SCHEMBL13045238

SCHEMBL13045238

CCCC(=O)CCNC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.75

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
SCHEMBL3686480 0.94 MAP2K1 (0.80) MAP2K1
SCHEMBL3684370 0.92 MAP2K1 (0.78) MAP2K1
SCHEMBL3694986 0.92 MAP2K1 (0.74) MAP2K1
SCHEMBL3688142 0.92 MAP2K1 (0.77) MAP2K1
SCHEMBL3694173 0.92 MAP2K1 (0.77) MAP2K1
SCHEMBL3692609 0.92 MAP2K1 (0.77) MAP2K1
SCHEMBL3690917 0.91 MAP2K1 (0.80) MAP2K1
SCHEMBL3687569 0.90 MAP2K1 (0.82) MAP2K1
SCHEMBL3690552 0.90 MAP2K1 (0.79) MAP2K1
SCHEMBL3689301 0.90 MAP2K1 (0.81) 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