SCHEMBL28607992

SCHEMBL28607992

CC(C)(C)OC(=O)N1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
BTK Q06187 5/20 0.43
CHEK2 O96017 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
SCHEMBL28618092 0.94 JAK2 (0.47) PARP1JAK2JAK1
SCHEMBL28607007 0.88 PARP1 (0.48) PARP1JAK2JAK1
SCHEMBL28624126 0.86 PARP1 (0.55) PARP1JAK2JAK1BTK
SCHEMBL2267080 0.85 BTK (0.45) PARP1BTK
SCHEMBL2270749 0.84 CCNT1 (0.41) PARP1JAK2JAK1
SCHEMBL28779527 0.83 PARP1 (0.41) PARP1BTK
SCHEMBL2264558 0.82 PARP1 (0.54) PARP1BTK
SCHEMBL15472790 0.80 JAK2 (0.45) PARP1JAK2JAK1BTKCHEK2
SCHEMBL2262723 0.80 PARP1 (0.42) PARP1BTK
SCHEMBL30158153 0.80 KDM2B (0.45) PARP1BTK

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
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
CN-113288892-A Application of poly ADP ribose polymerase inhibitor in resisting coronavirus 甫康(上海)健康科技有限责任公司 2021-08-24 CN disclosed