Sugi Predict

Sugi Predict / Compounds / SCHEMBL26647635

SCHEMBL26647635

SCHEMBL26647635

COc1cc(CNc2cc(N3CCN(C)CC3)nc(Nc3nc(C)c(C(=O)O)s3)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.62
▸ AURKA O14965 8/20 0.44
▸ HRH4 Q9H3N8 4/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ POLB P06746 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL290946 0.91 PDE5A (0.75) PDE5AAURKAHRH4AURKBPDE2A
SCHEMBL300168 0.91 PDE5A (0.71) PDE5AAURKAHRH4AURKBHRH1
SCHEMBL6068433 0.91 PDE5A (0.58) PDE5AAURKA
SCHEMBL289823 0.91 PDE5A (0.58) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL290275 0.90 PDE5A (0.57) PDE5AAURKAHRH4PDE2APDE3B
SCHEMBL291065 0.89 PDE5A (0.58) PDE5AAURKAPDE2APDE3BPDE3A
SCHEMBL291323 0.88 PDE5A (0.56) PDE5APDE2APDE3BPDE3A
SCHEMBL291205 0.85 PDE5A (0.56) PDE5AAURKAHRH4
SCHEMBL291180 0.85 PDE5A (0.54) PDE5A
SCHEMBL290933 0.85 PDE5A (0.54) PDE5APDE2APDE3BPDE3A

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-4275752-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2023-11-15 — — EP disclosed