SCHEMBL5147233

SCHEMBL5147233

N#Cc1cnn2cc(C(=O)O)cc2c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.65
RAF1 P04049 1/20 0.50

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
SCHEMBL6054221 0.88 MAP2K1 (0.71) MAP2K1
SCHEMBL13046489 0.80 MAP2K1 (0.55) MAP2K1
SCHEMBL3685754 0.79 MAP2K1 (1.00) MAP2K1
SCHEMBL6054237 0.79 MAP2K1 (0.59) MAP2K1RAF1
SCHEMBL6054341 0.77 MAP2K1 (0.79) MAP2K1
SCHEMBL3691739 0.77 MAP2K1 (0.81) MAP2K1
SCHEMBL5138265 0.76 MAP2K1 (0.87) MAP2K1
SCHEMBL3687441 0.76 MAP2K1 (0.89) MAP2K1
SCHEMBL13046828 0.76 MAP2K1 (0.87) MAP2K1
SCHEMBL3691482 0.75 MAP2K1 (0.86) 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 5 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
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 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
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed