SCHEMBL30173274

SCHEMBL30173274

c1ccc2oc(-c3cnc4[nH]ccc4c3NC3CCCCC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.55
JAK2 O60674 10/20 0.55
JAK3 P52333 6/20 0.45
ADRA2A P08913 1/20 0.42
HPGDS O60760 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL28597935 1.00 JAK1 (0.55) JAK1JAK2JAK3ADRA2AHPGDS
SCHEMBL28598975 0.79 JAK1 (0.60) JAK1JAK2JAK3HPGDS
SCHEMBL30173342 0.79 JAK1 (0.60) JAK1JAK2JAK3HPGDS
SCHEMBL28603790 0.79 JAK1 (0.72) JAK1JAK2JAK3HPGDS
SCHEMBL30173268 0.79 JAK1 (0.72) JAK1JAK2JAK3HPGDS
SCHEMBL30173314 0.78 JAK1 (0.56) JAK1JAK2JAK3HPGDS
SCHEMBL28598686 0.78 JAK1 (0.56) JAK1JAK2JAK3HPGDS
SCHEMBL30173271 0.76 ADRA2A (0.47) ADRA2AMKNK1PRKCQPRKCDNPC1
SCHEMBL28596888 0.76 ADRA2A (0.47) ADRA2AMKNK1PRKCQPRKCDNPC1
SCHEMBL28919002 0.76 JAK2 (0.72) JAK1JAK2JAK3HPGDS

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-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed