SCHEMBL6380386

SCHEMBL6380386

Nc1nc(CCNc2nc3ncnc(N)c3[nH]2)nc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 5/20 0.50
▸ PI4K2B Q8TCG2 5/20 0.50
▸ PI4K2A Q9BTU6 5/20 0.50
▸ PI4KB Q9UBF8 5/20 0.50
▸ XDH P47989 4/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.50
▸ PDPK1 O15530 1/20 0.42
▸ GDA Q9Y2T3 1/20 0.42
▸ PRKACA P17612 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NUDT1 P36639 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL11222102 0.77 PDPK1 (0.63) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29711624 0.74 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL6379588 0.72 PDPK1 (0.58) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29620672 0.71 PDPK1 (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29514836 0.71 PDPK1 (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL6267288 0.71 PDPK1 (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL215054 0.71 PDPK1 (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL2179783 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL9809157 0.71 PDPK1 (0.45) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL29605437 0.70 PDPK1 (0.54) PI4KAPI4K2BPI4K2API4KBXDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 — — EP claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 — — WO claimed
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