SCHEMBL18671467

SCHEMBL18671467

COC(=O)C(C)(C)c1nnc(-c2nn(COCCS(C)(C)C)c3nc(C)ccc23)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 11/20 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
SCHEMBL18671464 0.91 PDE5A (0.32) PDE5A
SCHEMBL16370484 0.89 DGAT1 (0.39) PDE5A
SCHEMBL16370404 0.80 DGAT1 (0.39) PDE5A
SCHEMBL16370368 0.77 PDE5A (0.54) PDE5A
SCHEMBL18671456 0.77 PDE5A (0.37) PDE5A
SCHEMBL18671465 0.71 PDE5A (0.62) PDE5A
SCHEMBL16370287 0.68 PDE5A (0.55) PDE5A
SCHEMBL16370565 0.68 PDE5A (0.45) PDE5A
SCHEMBL16370405 0.68 DGAT1 (0.33) PDE5A
SCHEMBL18671460 0.68 ADORA1 (0.31) —

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
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
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