SCHEMBL16520165

SCHEMBL16520165

CCCNc1nc(Nc2cccc(F)c2)ncc1CCCN

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 4/20 0.54
▸ STK17A Q9UEE5 14/20 0.50
▸ STK17B O94768 8/20 0.50
▸ CDK1 P06493 2/20 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
SCHEMBL3387114 0.87 TBK1 (0.66) TBK1STK17ASTK17B
SCHEMBL15584511 0.85 TBK1 (0.58) TBK1CDK1
SCHEMBL15584672 0.81 FLT3 (0.47) TBK1STK17ASTK17BCDK1
SCHEMBL3389031 0.80 TBK1 (0.58) TBK1STK17ASTK17B
SCHEMBL15584125 0.80 TBK1 (0.50) TBK1
SCHEMBL16520170 0.80 TBK1 (0.55) TBK1
SCHEMBL3384919 0.79 STK17A (0.57) TBK1STK17ASTK17B
SCHEMBL15584118 0.79 TBK1 (0.48) TBK1CDK1
SCHEMBL15584116 0.78 TBK1 (0.53) TBK1
SCHEMBL15584919 0.78 TBK1 (0.55) TBK1

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-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 — — EP disclosed
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