SCHEMBL30502007

SCHEMBL30502007

CC(C)(C)OC(=O)N1CCC(c2ncc3[nH]cc(Br)c3c2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGDS O60760 1/20 0.41
GPR119 Q8TDV5 12/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL22576483 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL22735004 0.89 JAK1 (0.45) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL30502008 0.89 JAK1 (0.45) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL22576291 0.80 GPR119 (0.40) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL30502031 0.80 GPR119 (0.40) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL22576137 0.80 KDM4E (0.47) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL30501968 0.80 JAK1 (0.57) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL22576307 0.80 JAK1 (0.57) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL28476638 0.77 KDM4E (0.50) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL25376313 0.76 JAK1 (0.48) JAK2JAK1TYK2JAK3KDM4E

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