SCHEMBL30978993

SCHEMBL30978993

CC(C)(C)Cc1nnc2nc(Nc3ccccc3)c3ccccc3n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDR P35968 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL30978951 0.84 KDR (0.43) NPY5RMEN1KMT2AABCG2HRH4
SCHEMBL30979034 0.83 GAA (0.40) NPY5RMAPTKDM4EGAAALDH1A1
SCHEMBL30978991 0.83 NPY5R (0.36) NPY5RMEN1KMT2AABCG2HRH4
SCHEMBL30979107 0.82 GSK3B (0.39) NPY5RMEN1KMT2AABCG2PDE5A
SCHEMBL30979044 0.81 PDE5A (0.38) NPY5RMEN1KMT2AABCG2HRH4
SCHEMBL30979013 0.80 TP53 (0.43) NPY5RMEN1KMT2AABCG2HRH4
SCHEMBL30979082 0.80 NPY5R (0.35) NPY5RMEN1KMT2AABCG2HRH4
SCHEMBL30979065 0.79 PDE5A (0.39) NPY5RMEN1KMT2AABCG2PDE5A
SCHEMBL30979131 0.78 PDE5A (0.44) NPY5RPDE5A
SCHEMBL30979016 0.73 NPY5R (0.47) NPY5RMEN1KMT2AABCG2HPGD

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
Send feedback