SCHEMBL6054232

SCHEMBL6054232

C=C(C)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.82

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
SCHEMBL13046828 0.91 MAP2K1 (0.87) MAP2K1
SCHEMBL3685754 0.90 MAP2K1 (1.00) MAP2K1
SCHEMBL5138265 0.89 MAP2K1 (0.87) MAP2K1
SCHEMBL3691482 0.89 MAP2K1 (0.86) MAP2K1
SCHEMBL5138760 0.89 MAP2K1 (0.79) MAP2K1
SCHEMBL3684038 0.88 MAP2K1 (1.00) MAP2K1
SCHEMBL3687544 0.88 MAP2K1 (0.86) MAP2K1
SCHEMBL3695686 0.87 MAP2K1 (1.00) MAP2K1
SCHEMBL3694148 0.87 MAP2K1 (0.85) MAP2K1
SCHEMBL6054359 0.87 MAP2K1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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