SCHEMBL13788484

SCHEMBL13788484

C=C/C(=C\N)c1cc(C(=C)/N=C\C=C/N)c2[nH]c(NC(=O)NCC)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.38
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL13788469 0.81 ABL1 (0.36) ABL1GSK3B
SCHEMBL13788480 0.74 ABL1 (0.32) ABL1
SCHEMBL14395370 0.74 ABL1 (0.51) ABL1GSK3B
SCHEMBL13788396 0.73 ABL1 (0.39) ABL1
SCHEMBL13788383 0.72 TUBB4A (0.37) —
SCHEMBL13823201 0.72 ABL1 (0.36) ABL1
SCHEMBL13788361 0.69 ABL1 (0.35) ABL1
SCHEMBL13788413 0.69 ABL1 (0.35) ABL1
SCHEMBL13823202 0.69 ABL1 (0.39) ABL1GSK3B
SCHEMBL13788481 0.67 KDM4E (0.36) 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
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