SCHEMBL13633245

SCHEMBL13633245

CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(N3CC(C(=O)N(C)C)C=N3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.53

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
SCHEMBL13953890 0.92 ABL1 (0.54) ABL1
SCHEMBL13712078 0.89 ABL1 (0.56) ABL1
SCHEMBL9068495 0.82 ABL1 (0.58) ABL1
SCHEMBL8997588 0.79 ABL1 (0.57) ABL1
SCHEMBL1358290 0.78 ABL1 (0.60) ABL1
SCHEMBL8997225 0.77 ABL1 (0.59) ABL1
SCHEMBL14097433 0.77 ABL1 (0.69) ABL1
SCHEMBL14097631 0.77 ABL1 (0.69) ABL1
SCHEMBL8997280 0.77 ABL1 (0.58) ABL1
SCHEMBL14097528 0.76 ABL1 (0.68) ABL1

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-7618974-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-17 US disclosed