SCHEMBL109802

SCHEMBL109802

COC(=O)CCNCCC(=O)OC.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(N)(=O)O)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
P2RY1 P47900 5/20 0.62
ENPP1 P22413 3/20 0.62
DTYMK P23919 4/20 0.52
P2RY2 P41231 3/20 0.51
SRC P12931 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DNPH1 O43598 1/20 0.51
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
FBP1 P09467 1/20 0.51
ADORA1 P30542 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL2693792 0.93 POLB (0.62) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL110526 0.93 POLB (0.66) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL112954 0.87 POLB (0.63) POLBP2RY1ENPP1DTYMKP2RY2
SCHEMBL110873 0.85 P2RY1 (0.70) P2RY1ENPP1P2RY2SRCSMN1; SMN2
SCHEMBL109875 0.84 POLB (0.67) POLBP2RY2TAS1R3TAS1R1NT5E
SCHEMBL7882477 0.84 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL543475 0.84 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL18785113 0.84 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL11927745 0.84 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL4546151 0.84 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC

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-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 WO disclosed