SCHEMBL9303023

SCHEMBL9303023

Cc1ncc(Cn2c(NC3CCN(CCSNC(=O)Nc4cnccc4N)CC3)nc3ccccc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.39
NR4A2 P43354 1/20 0.39
SSTR5 P35346 4/20 0.39
HRH1 P35367 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
OPRK1 P41145 2/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
EED O75530 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
HLA-A P04439 1/20 0.38
ERBB2 P04626 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 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
SCHEMBL1152711 0.89 KCNH2 (0.40) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1151613 0.85 SSTR5 (0.56) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9303034 0.85 KCNH2 (0.40) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9630302 0.82 EED (0.39) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9807304 0.81 EED (0.54) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9629390 0.81 EED (0.38) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9739865 0.81 SSTR5 (0.54) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL14173615 0.80 SSTR5 (0.51) KCNH2NR4A2SSTR5HRH1HRH4
Water SCHEMBL4983352 0.79 KCNH2 (0.51) KCNH2NR4A2SSTR5HRH1HRH4
Hydrochloric Acid SCHEMBL4987342 0.78 KCNH2 (0.51) KCNH2NR4A2SSTR5HRH1HRH4

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
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed