SCHEMBL5749599

SCHEMBL5749599

CCCCCCCCCCc1ccnc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
TLR8 Q9NR97 2/20 0.50
PDPK1 O15530 2/20 0.44
DHFR P00374 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.39
NOS2 P35228 1/20 0.39
CDK1 P06493 1/20 0.38

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
SCHEMBL5748930 1.00 KCNH2 (0.56) KCNH2TLR8PDPK1DHFRKDM4E
SCHEMBL5748502 1.00 KCNH2 (0.56) KCNH2TLR8PDPK1DHFRKDM4E
SCHEMBL14043611 1.00 KCNH2 (0.56) KCNH2TLR8PDPK1DHFRKDM4E
SCHEMBL3248683 0.98 KCNH2 (0.53) KCNH2TLR8PDPK1DHFRKDM4E
SCHEMBL12514073 0.93 TLR8 (0.53) KCNH2TLR8PDPK1RAB9ASMN1; SMN2
SCHEMBL12336950 0.85 TLR8 (0.47) TLR8PDPK1KDM4EHRH3NOS2
SCHEMBL17053275 0.80 KCNH2 (0.58) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22298878 0.80 KCNH2 (0.58) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27769288 0.80 KCNH2 (0.58) KCNH2KDM4EALDH1A1HSD17B10HTR2A
SCHEMBL27977748 0.80 KCNH2 (0.58) KCNH2KDM4EALDH1A1HSD17B10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed