SCHEMBL6206318

SCHEMBL6206318

N#Cc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)SC(=O)CN5)C(O)C3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.39
SLC2A1 P11166 1/20 0.35
CDK8 P49336 6/20 0.34
CCNC P24863 5/20 0.33
CDK19 Q9BWU1 3/20 0.33
MAP4K2 Q12851 1/20 0.32
HASPIN Q8TF76 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
SCHEMBL6206362 0.86 KCNH2 (0.41) KCNH2SLC2A1CDK8
SCHEMBL4484328 0.83 KCNH2 (0.48) KCNH2
SCHEMBL13921377 0.83 KCNH2 (0.48) KCNH2
SCHEMBL4487393 0.81 KCNH2 (0.61) KCNH2
SCHEMBL13921378 0.81 KCNH2 (0.61) KCNH2
Hydrochloric Acid SCHEMBL4484228 0.81 KCNH2 (0.61) KCNH2
SCHEMBL4497667 0.78 DRD2 (0.39) KCNH2CDK8CCNCCDK19MAP4K2
SCHEMBL4497675 0.78 DRD2 (0.39) KCNH2CDK8CCNCCDK19MAP4K2
SCHEMBL13934618 0.72 KCNH2 (0.50) KCNH2
Hydrochloric Acid SCHEMBL4480929 0.72 HRH3 (0.38) KCNH2CDK8CCNCCDK19MAP4K2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP claimed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP claimed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO claimed