SCHEMBL9303798

SCHEMBL9303798

Cc1ncc(Cn2c(NC3CCN(CCNC(=O)c4ccccc4N)CC3)nc3ccccc32)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.47
NR4A2 P43354 1/20 0.43
SSTR5 P35346 5/20 0.43
HRH1 P35367 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
EED O75530 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL8562307 0.89 KCNH2 (0.48) KCNH2NR4A2SSTR5HRH1HRH4
Water SCHEMBL9302653 0.88 KCNH2 (0.43) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9304716 0.87 KCNH2 (0.46) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9742527 0.86 MEN1 (0.51) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL8560732 0.86 KCNH2 (0.46) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9305692 0.86 KCNH2 (0.45) KCNH2NR4A2SSTR5HRH1HRH4
Water SCHEMBL8560589 0.85 OPRK1 (0.49) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL8562280 0.84 HRH1 (0.56) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL14173615 0.83 SSTR5 (0.51) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9304456 0.83 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 3 patents. 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
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed