SCHEMBL9303969

SCHEMBL9303969

Cc1ncc(Cn2c(NC3CCNCC3)nc3ccccc32)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.60
NR4A2 P43354 2/20 0.60
SOS1 Q07889 1/20 0.44
SSTR5 P35346 6/20 0.44
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
EED O75530 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL8162459 0.88 SSTR5 (0.48) KCNH2NR4A2SSTR5LMNAGAA
Water SCHEMBL9302746 0.87 KCNH2 (0.48) KCNH2NR4A2SSTR5LMNAGAA
Water SCHEMBL9303347 0.87 KCNH2 (0.48) KCNH2NR4A2SSTR5LMNAGAA
Water SCHEMBL9303352 0.87 KCNH2 (0.48) KCNH2NR4A2SSTR5LMNAGAA
Hydrochloric Acid SCHEMBL9303379 0.86 KCNH2 (0.48) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL9697200 0.85 KCNH2 (0.62) KCNH2NR4A2SOS1SSTR5LMNA
Hydrochloric Acid SCHEMBL9302235 0.85 KCNH2 (0.57) KCNH2NR4A2SOS1SSTR5LMNA
Hydrochloric Acid SCHEMBL8567744 0.85 KCNH2 (0.57) KCNH2NR4A2SOS1SSTR5LMNA
SCHEMBL9537073 0.85 SSTR5 (0.51) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL7864978 0.84 KCNH2 (0.45) KCNH2NR4A2SSTR5LMNAGAA

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