SCHEMBL22296388

SCHEMBL22296388

C[C@@H]1COCCN1c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 20/20 0.49

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
SCHEMBL22296387 1.00 PIK3C3 (0.49) PIK3C3
SCHEMBL22296389 1.00 PIK3C3 (0.49) PIK3C3
SCHEMBL21256945 0.84 PIK3C3 (0.50) PIK3C3
SCHEMBL26515061 0.84 PIK3C3 (0.50) PIK3C3
SCHEMBL24681530 0.83 MTOR (0.50) PIK3C3
SCHEMBL24681517 0.83 MTOR (0.50) PIK3C3
SCHEMBL25018626 0.83 MTOR (0.50) PIK3C3
SCHEMBL25222723 0.83 PIK3C3 (0.49) PIK3C3
SCHEMBL19863417 0.83 PIK3C3 (0.49) PIK3C3
SCHEMBL16611301 0.83 PIK3C3 (0.49) PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed