SCHEMBL6054396

SCHEMBL6054396

COc1ccccc1Oc1ccc(Nc2c(C#N)cnn3cc(NC(=N)N)c(C)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.68

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
SCHEMBL6054290 0.92 MAP2K1 (0.72) MAP2K1
SCHEMBL6054349 0.89 MAP2K1 (0.73) MAP2K1
SCHEMBL5138172 0.87 MAP2K1 (0.80) MAP2K1
Hydrochloric Acid SCHEMBL5138204 0.86 MAP2K1 (0.79) MAP2K1
SCHEMBL6054247 0.86 MAP2K1 (0.79) MAP2K1
SCHEMBL6054227 0.85 MAP2K1 (0.68) MAP2K1
SCHEMBL6054314 0.85 MAP2K1 (0.65) MAP2K1
SCHEMBL3687627 0.84 MAP2K1 (0.75) MAP2K1
SCHEMBL3685085 0.84 MAP2K1 (0.79) MAP2K1
SCHEMBL6054266 0.84 MAP2K1 (0.66) 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
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