SCHEMBL30979044

SCHEMBL30979044

c1ccc(Nc2nc3nnc(CC4CC4)n3c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.38
▸ NPY5R Q15761 6/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ ADORA3 P0DMS8 1/20 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
SCHEMBL30979065 0.95 PDE5A (0.39) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30979131 0.94 PDE5A (0.44) PDE5ANPY5RADORA3ADORA2AADORA1
SCHEMBL31169422 0.83 ABCG2 (0.44) PDE5AABCG2SMN1; SMN2
SCHEMBL30978951 0.81 KDR (0.43) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30978993 0.81 NPY5R (0.38) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30978991 0.79 NPY5R (0.36) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30979034 0.79 GAA (0.40) NPY5RKDM4EMAPTALDH1A1
SCHEMBL30979107 0.78 GSK3B (0.39) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30979082 0.78 NPY5R (0.35) PDE5ANPY5RMEN1KMT2AABCG2
SCHEMBL30979013 0.76 TP53 (0.43) PDE5ANPY5RMEN1KMT2AABCG2

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
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