SCHEMBL29786207

SCHEMBL29786207

Oc1c[nH]nc1NCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
APP P05067 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CHRM4 P08173 1/20 0.36
CA2 P00918 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ROCK2 O75116 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
AOC1 P19801 1/20 0.34

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
SCHEMBL19568003 0.70 RPS6KB1 (0.43) JAK2JAK1KDM4CJAK3LRRK2
SCHEMBL2801895 0.70 KDM4C (0.51) GRM4UTS2RKDM4CASPHKDM8
SCHEMBL11392186 0.65 NUDT1 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL15415415 0.64 KDM4C (0.34) GRM4APPUTS2RJAK2JAK1
SCHEMBL6884915 0.63 S1PR1 (0.52) KDM4CASPHKDM8NPC1
SCHEMBL8054361 0.63 IDH1 (0.46) GRM4APPKDM4CASPHKDM8
SCHEMBL4612289 0.61 GRM4 (0.38) GRM4APPUTS2RJAK2JAK1
SCHEMBL23012182 0.61 CCNB2 (0.32)
SCHEMBL26326819 0.60 NPC1 (0.56) KDM4CASPHKDM8KDM4ERIOX2
SCHEMBL1679102 0.60 ADH1B (0.59) CHRM4CA2HRH4HRH3

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-114787161-A Pyrazolo [1,5-a ] pyridine compound and preparation method and application thereof 深圳众格生物科技有限公司 2022-07-22 CN disclosed