SCHEMBL28020392

SCHEMBL28020392

Cc1nc(Nc2nc(-c3ccc(C(=O)O)cc3)cc(N3CCN(C)CC3)n2)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.48
▸ PDE5A O76074 2/20 0.46
▸ HRH4 Q9H3N8 7/20 0.45
▸ HRH1 P35367 3/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CHEK1 O14757 3/20 0.44
▸ HTR3A P46098 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 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
SCHEMBL290626 0.90 PDE5A (0.60) AURKAPDE5AALDH1A1HPGD
SCHEMBL29832171 0.90 PDE5A (0.60) AURKAPDE5AALDH1A1HPGD
SCHEMBL15546782 0.90 PDE5A (0.48) AURKAPDE5AHRH4HRH3ALDH1A1
SCHEMBL20559971 0.88 PDE5A (0.42) AURKAPDE5ACHEK1ALDH1A1HPGD
SCHEMBL299322 0.88 PDE5A (0.57) AURKAPDE5AALDH1A1HPGD
SCHEMBL26647638 0.87 PDE5A (0.57) AURKAPDE5AALDH1A1HPGD
SCHEMBL27937609 0.84 PDE5A (0.48) PDE5AALDH1A1
SCHEMBL26647596 0.84 PDE5A (0.58) PDE5AALDH1A1HPGD
SCHEMBL291205 0.83 PDE5A (0.56) AURKAPDE5AHRH4HRH3
SCHEMBL27950930 0.82 PDE5A (0.61) AURKAPDE5AALDH1A1HPGD

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
CN-104768556-A Treatment of addiction and impulse control disorders using PDE7 inhibitors OMEROS CORP 2015-07-08 — — CN disclosed
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