SCHEMBL29462406

SCHEMBL29462406

Nc1ccc(N2CCOCC2=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.49
PTGS2 P35354 13/20 0.48
TYK2 P29597 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3R1 P27986 1/20 0.40
MTOR P42345 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
SCHEMBL2343226 1.00 F10 (0.49) F10PTGS2TYK2JAK2JAK1
SCHEMBL22650398 0.91 F10 (0.41) F10PTGS2TYK2JAK2JAK1
SCHEMBL12280261 0.86 PIK3CA (0.43) F10PTGS2PIK3CAPIK3CDPIK3CG
SCHEMBL8285973 0.83 PTGS2 (0.48) F10PTGS2TYK2JAK2JAK1
SCHEMBL20038363 0.83 PTGS2 (0.47) F10PTGS2TYK2JAK2JAK1
SCHEMBL3297140 0.83 PTGS2 (0.48) F10PTGS2TYK2JAK2JAK1
SCHEMBL28362833 0.83 F10 (0.53) F10PTGS2
SCHEMBL30253118 0.83 PTGS2 (0.48) F10PTGS2TYK2JAK2JAK1
SCHEMBL24156707 0.80 PIK3CA (0.47) F10PTGS2TYK2JAK2JAK1
SCHEMBL30253079 0.80 PIK3CA (0.47) F10PTGS2TYK2JAK2JAK1

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
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed