SCHEMBL13623305

SCHEMBL13623305

CCNC(=O)Nc1nc2cc(-c3cnc(O)nc3)cc(-n3cccn3)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.43

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
SCHEMBL8997187 0.92 ABL1 (0.42) ABL1
SCHEMBL8997123 0.90 ABL1 (0.42) ABL1
SCHEMBL8997099 0.90 ABL1 (0.48) ABL1
SCHEMBL13788397 0.87 ABL1 (0.46) ABL1
SCHEMBL1358290 0.86 ABL1 (0.60) ABL1
SCHEMBL8997132 0.86 ABL1 (0.46) ABL1
SCHEMBL8997217 0.86 ABL1 (0.47) ABL1
SCHEMBL8997246 0.85 ABL1 (0.39) ABL1
SCHEMBL8997452 0.85 ABL1 (0.42) ABL1
SCHEMBL8997304 0.84 ABL1 (0.46) 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-7618974-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-17 US disclosed