SCHEMBL13633141

SCHEMBL13633141

CCNC(=O)Nc1nc2cc(-c3cc(C)n(C4CC4)c(=O)c3)cc(N3CCC=N3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.37

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
SCHEMBL13953837 0.89 ABL1 (0.41) ABL1
SCHEMBL12140470 0.88 ABL1 (0.38) ABL1
SCHEMBL12140672 0.83 ABL1 (0.40) ABL1
SCHEMBL12229502 0.83 ABL1 (0.40) ABL1
SCHEMBL8997556 0.82 ABL1 (0.39) ABL1
SCHEMBL13788311 0.82 ABL1 (0.40) ABL1
SCHEMBL12140468 0.82 ABL1 (0.35) ABL1
SCHEMBL9068458 0.81 ABL1 (0.43) ABL1
SCHEMBL9068596 0.81 ABL1 (0.39) ABL1
SCHEMBL13953884 0.81 ABL1 (0.38) 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 2 patents. 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
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed