SCHEMBL14395370

SCHEMBL14395370

C=C/C(=C\N)c1ccc2[nH]c(NC(=O)NCC)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.51
▸ GSK3B P49841 1/20 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
SCHEMBL14395489 0.82 ABL1 (0.43) ABL1GSK3B
SCHEMBL14097403 0.82 ABL1 (0.60) ABL1
SCHEMBL14395621 0.81 ABL1 (0.44) ABL1
SCHEMBL14395371 0.80 NPC1 (0.43) ABL1GSK3B
SCHEMBL14395616 0.80 ABL1 (0.43) ABL1GSK3B
SCHEMBL14395460 0.78 ABL1 (0.46) ABL1
SCHEMBL14097418 0.77 ABL1 (0.49) ABL1
SCHEMBL14395602 0.76 ABL1 (0.38) ABL1GSK3B
SCHEMBL13788396 0.75 ABL1 (0.39) ABL1
SCHEMBL13788484 0.74 ABL1 (0.38) ABL1GSK3B

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-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 — — EP disclosed
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