SCHEMBL30502008

SCHEMBL30502008

Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)ncc2[nH]cc(Br)c12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGDS O60760 2/20 0.41
GPR119 Q8TDV5 9/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
BTK Q06187 1/20 0.39
HTT P42858 1/20 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
SCHEMBL22735004 1.00 JAK1 (0.45) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576483 0.89 JAK2 (0.44) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL30502007 0.89 JAK2 (0.44) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576137 0.80 KDM4E (0.47) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22576477 0.80 GPR119 (0.41) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL30501978 0.80 GPR119 (0.41) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL30501963 0.79 JAK1 (0.58) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL22734993 0.79 JAK1 (0.58) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL28480172 0.77 KDM4E (0.51) JAK1JAK2TYK2JAK3KDM4E
SCHEMBL20135077 0.73 MAPT (0.52) JAK1JAK2TYK2JAK3KDM4E

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-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed