SCHEMBL27111165

SCHEMBL27111165

COc1ccc2c(N3CCC(CCP(=O)(O)O)CC3)ncnc2c1N1CCN=N1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 19/20 0.70
▸ PDE1B Q01064 1/20 0.37

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
SCHEMBL20813411 0.83 ENPP1 (0.78) ENPP1PDE1B
SCHEMBL20814064 0.83 ENPP1 (1.00) ENPP1
SCHEMBL29857914 0.83 ENPP1 (1.00) ENPP1
SCHEMBL20814057 0.82 ENPP1 (0.76) ENPP1
SCHEMBL31502045 0.82 ENPP1 (0.76) ENPP1
SCHEMBL24015442 0.82 ENPP1 (0.67) ENPP1
SCHEMBL20814056 0.82 ENPP1 (0.67) ENPP1PDE1B
SCHEMBL31502050 0.82 ENPP1 (0.67) ENPP1
SCHEMBL20813410 0.79 ENPP1 (1.00) ENPP1
SCHEMBL22299711 0.78 ENPP1 (0.71) ENPP1PDE1B

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
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 — — EP disclosed
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