SCHEMBL29777877

SCHEMBL29777877

N#CC1(Nc2nc(Cl)ncc2[N+](=O)[O-])CCCOCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 14/20 0.42
▸ PDE4A P27815 5/20 0.34
▸ PDE7A Q13946 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL26921208 1.00 PIN1 (0.42) PIN1PDE4APDE7ACTDSP1
SCHEMBL24620552 0.96 PIN1 (0.45) PIN1PDE4ACTDSP1
SCHEMBL29350000 0.96 PIN1 (0.45) PIN1PDE4ACTDSP1
SCHEMBL29777792 0.89 PIN1 (0.47) PIN1PDE4APDE7ACTDSP1
SCHEMBL26921555 0.89 PIN1 (0.47) PIN1PDE4APDE7ACTDSP1
SCHEMBL29777806 0.84 PIN1 (0.43) PIN1PDE4ACTDSP1
SCHEMBL24620098 0.84 PIN1 (0.43) PIN1PDE4ACTDSP1
SCHEMBL29777859 0.82 PIN1 (0.45) PIN1PDE4APDE7ACTDSP1
SCHEMBL26922234 0.82 PIN1 (0.45) PIN1PDE4APDE7ACTDSP1
SCHEMBL24620317 0.81 PDE4A (0.41) PDE4APDE7A

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-116669741-A Polycyclic kinase inhibitors 山东轩竹医药科技有限公司 2023-08-29 — — CN disclosed
WO-2022148354-A1 POLYCYCLIC KINASE INHIBITOR 山东轩竹医药科技有限公司 2022-07-14 — — WO disclosed
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