SCHEMBL28680409

SCHEMBL28680409

C=C(F)C(=O)N1CC(COc2cc(-c3ccc(O)cc3)cc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.45
PIK3CD O00329 2/20 0.43
PIM1 P11309 2/20 0.43
GSK3B P49841 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
PIK3CG P48736 1/20 0.39
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL28679732 0.90 JAK3 (0.38) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL28687000 0.89 JAK3 (0.49) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL28672841 0.89 FGFR1 (0.41) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL28673136 0.88 JAK3 (0.49) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL21486164 0.86 JAK3 (0.61) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL20699364 0.81 JAK3 (0.63) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL20699361 0.81 JAK3 (0.63) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL30161777 0.81 JAK3 (0.63) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL20699415 0.79 JAK3 (0.64) JAK3PIK3CDPIM1GSK3BPIK3CA
SCHEMBL20699367 0.79 PIK3CD (0.47) JAK3PIK3CDPIM1GSK3BPIK3CA

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-113831326-A Condensed heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-12-24 CN disclosed