SCHEMBL3684079

SCHEMBL3684079

Cc1c(NC(=O)OCCc2ccsc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.72

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
SCHEMBL3683944 0.89 MAP2K1 (0.75) MAP2K1
SCHEMBL3688364 0.88 MAP2K1 (0.81) MAP2K1
SCHEMBL3685815 0.88 MAP2K1 (0.81) MAP2K1
SCHEMBL3692524 0.88 MAP2K1 (0.84) MAP2K1
SCHEMBL3807450 0.88 MAP2K1 (0.73) MAP2K1
SCHEMBL3686205 0.87 MAP2K1 (0.75) MAP2K1
SCHEMBL3692231 0.86 MAP2K1 (0.79) MAP2K1
SCHEMBL13046768 0.86 MAP2K1 (0.81) MAP2K1
SCHEMBL3690007 0.86 MAP2K1 (0.78) MAP2K1
SCHEMBL3688745 0.85 MAP2K1 (0.74) 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 4 patents. 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
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
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-6900208-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed