SCHEMBL9147482

SCHEMBL9147482

N#CN=C(NCCCc1ccccc1)Nc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.53
EPHX2 P34913 1/20 0.50
HRH4 Q9H3N8 3/20 0.47
HRH2 P25021 2/20 0.47
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
NAMPT P43490 1/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 2/20 0.43
ABCC9 O60706 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
PTAFR P25105 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL9149002 0.93 BCL6 (0.62) BCL6HRH4NAMPTKMT2AMEN1
SCHEMBL9147488 0.88 NPC1 (0.47) BCL6HRH4CDK2FLT4KMT2A
SCHEMBL11157675 0.85 NAMPT (0.51) BCL6NAMPTKMT2AMEN1ABCC9
SCHEMBL11166666 0.84 MEN1 (0.51) CDK2FLT4KMT2AMEN1ABCC9
SCHEMBL7424828 0.84 CYP3A4 (0.44) HRH4HRH2NAMPTKMT2AKDM4E
SCHEMBL11160665 0.83 LMNA (0.50) CDK2FLT4KMT2AMEN1ABCC9
SCHEMBL7430606 0.83 POLB (0.53) EPHX2HRH4HRH2KMT2AKDM4E
SCHEMBL7353949 0.83 HRH4 (0.42) EPHX2HRH4HRH2KMT2AKDM4E
SCHEMBL11166906 0.82 CDK2 (0.52) CDK2FLT4KMT2AEPHX1MEN1
SCHEMBL809770 0.82 HRH4 (0.49) HRH4CDK2FLT4PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP claimed
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO claimed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed