SCHEMBL30445166

SCHEMBL30445166

COc1cc(-n2ncc(CO)n2)nc(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.47
KDM4E B2RXH2 5/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20574767 1.00 KCNJ1 (0.47) KCNJ1KDM4EMAPK1SMN1; SMN2P2RX7
SCHEMBL20168218 0.85 KCNJ1 (0.45) KCNJ1KDM4EP2RX7MEN1KMT2A
SCHEMBL30444634 0.85 KCNJ1 (0.45) KCNJ1KDM4EP2RX7MEN1KMT2A
SCHEMBL20176988 0.81 RECQL (0.47) KCNJ1KDM4EMAPK1SMN1; SMN2P2RX7
SCHEMBL30445572 0.81 RECQL (0.47) KCNJ1KDM4EMAPK1SMN1; SMN2P2RX7
SCHEMBL20574272 0.80 KCNJ1 (0.42) KCNJ1KDM4EMAPK1SMN1; SMN2MEN1
SCHEMBL30445102 0.80 KCNJ1 (0.42) KCNJ1KDM4EMAPK1SMN1; SMN2MEN1
SCHEMBL26536810 0.78 KCNJ1 (0.47) KCNJ1KDM4EP2RX7
SCHEMBL20574945 0.77 P2RX7 (0.43) KCNJ1P2RX7
SCHEMBL20575090 0.76 KCNJ1 (0.48) KCNJ1KDM4EMAPK1SMN1; SMN2P2RX7

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
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 CN disclosed