SCHEMBL27109596

SCHEMBL27109596

COc1ccc2c(C)ncnc2c1N(N)/C=C\N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 2/20 0.33
▸ PDE1A P54750 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE5A O76074 1/20 0.31

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
SCHEMBL27109564 0.72 KDM4E (0.42) PDE1BPDE1APDE1CPDE5A
SCHEMBL12844112 0.70 PDE1B (0.55) PDE1BPDE1APDE1CPDE5A
SCHEMBL11583026 0.67 HTR1A (0.50) —
SCHEMBL24393048 0.66 PDE1B (0.38) PDE1BPDE1APDE1CPDE5A
SCHEMBL21863298 0.60 HTT (0.45) —
SCHEMBL20813807 0.59 PDE5A (0.42) PDE5A
SCHEMBL21533852 0.58 MEN1 (0.40) PDE1BPDE5A
SCHEMBL12143431 0.58 PDE5A (0.68) PDE1BPDE1APDE1CPDE5A
SCHEMBL20350896 0.58 NQO2 (0.46) PDE5A
SCHEMBL24392596 0.58 PIK3CA (0.43) PDE5A

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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