SCHEMBL7014131

SCHEMBL7014131

Cn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.70
KCNJ11 Q14654 1/20 0.70
LMNA P02545 4/20 0.63
MAPK1 P28482 2/20 0.63
ADORA2B P29275 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
RXFP1 Q9HBX9 4/20 0.61
HTT P42858 2/20 0.58
UBE2N P61088 2/20 0.58
GLA P06280 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL20561163 0.92 ABCC8 (0.81) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7017901 0.88 LMNA (0.67) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7018070 0.87 LMNA (0.68) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7011204 0.87 LMNA (0.68) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7011108 0.87 LMNA (0.84) ABCC8KCNJ11LMNAMAPK1ADORA2B
Hydrochloric Acid SCHEMBL7019827 0.86 LMNA (0.82) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7011398 0.86 LMNA (0.67) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7016279 0.84 RXFP1 (0.65) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL29256880 0.83 ADORA2B (0.74) ABCC8KCNJ11LMNAMAPK1ADORA2B
SCHEMBL7016345 0.83 LMNA (0.66) ABCC8KCNJ11LMNAMAPK1ADORA2B

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
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed