SCHEMBL13788397

SCHEMBL13788397

CCCc1ccc(-c2cc(-n3cccn3)c3[nH]c(NC(=O)NCC)nc3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.46

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
SCHEMBL8997193 0.89 ABL1 (0.42) ABL1
SCHEMBL8997132 0.88 ABL1 (0.46) ABL1
SCHEMBL8997217 0.88 ABL1 (0.47) ABL1
SCHEMBL13623305 0.87 ABL1 (0.43) ABL1
SCHEMBL8997388 0.87 ABL1 (0.41) ABL1
SCHEMBL8997187 0.86 ABL1 (0.42) ABL1
SCHEMBL1358290 0.86 ABL1 (0.60) ABL1
SCHEMBL8997123 0.85 ABL1 (0.42) ABL1
SCHEMBL8997099 0.84 ABL1 (0.48) ABL1
SCHEMBL13752510 0.82 ABL1 (0.48) 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
EP-1592686-B1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2009-07-08 EP disclosed