SCHEMBL28309161

SCHEMBL28309161

CCn1cc(C(N)=O)c(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 8/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 6/20 0.35
LMNA P02545 1/20 0.34
PARP1 P09874 1/20 0.34
NAMPT P43490 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL26419133 0.81 ADORA2A (0.37) JAK3JAK2JAK1PARP1
SCHEMBL26420237 0.81 AR (0.36) JAK2JAK1PARP1
SCHEMBL30621006 0.80 TGFBR1 (0.36) JAK2JAK1PARP1
SCHEMBL952140 0.76 L3MBTL1 (0.50) JAK3L3MBTL1KDM4EALDH1A1NPC1
SCHEMBL12486040 0.75 L3MBTL1 (0.43) JAK3L3MBTL1KDM4EALDH1A1NPC1
SCHEMBL22275817 0.74 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1NPC1HTT
SCHEMBL19780673 0.73 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1HTT
SCHEMBL25979376 0.72 HTT (0.36) L3MBTL1KDM4EALDH1A1NPC1HTT
SCHEMBL17067013 0.71 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1NPC1HTT
SCHEMBL26133925 0.71 L3MBTL1 (0.40) JAK3L3MBTL1KDM4EALDH1A1NPC1

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
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN claimed
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed