SCHEMBL24678419

SCHEMBL24678419

COc1cccc(C#Cc2cnc3[nH]ccc3c2NC2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.47
JAK2 O60674 10/20 0.47
HPGDS O60760 1/20 0.41
JAK3 P52333 10/20 0.41
TYK2 P29597 4/20 0.39

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
SCHEMBL30084251 1.00 JAK1 (0.47) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL24678192 0.85 JAK2 (0.47) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL30084187 0.85 JAK2 (0.47) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL30084225 0.82 JAK1 (0.48) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL24678729 0.82 JAK1 (0.48) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL24678201 0.82 JAK2 (0.49) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL30084196 0.82 JAK2 (0.49) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL24678773 0.81 JAK2 (0.43) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL30084288 0.81 JAK2 (0.43) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL24678139 0.80 JAK1 (0.50) JAK1JAK2HPGDSJAK3TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022247676-A1 COMPOUND WITH DIPYRROLOPYRIDINE STRUCTURE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 南京康屹生物医药中心(有限合伙) 2022-12-01 WO disclosed
CN-115385911-A Compound with dipyrrolopyridine structure, preparation method and medical application 南京康屹生物医药中心(有限合伙) 2022-11-25 CN disclosed
CN-113292561-A Compound with dipyrrolopyridine structure, preparation method and medical application 中国药科大学 2021-08-24 CN disclosed