SCHEMBL109340

SCHEMBL109340

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(=O)OCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 8/20 0.72
P2RY2 P41231 4/20 0.72
SRC P12931 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
TAS1R3 Q7RTX0 2/20 0.72
TAS1R1 Q7RTX1 2/20 0.72
TRPM2 O94759 2/20 0.72
P2RY11 Q96G91 2/20 0.72
DNPH1 O43598 1/20 0.72
PRKAB2 O43741 1/20 0.72
LDHA P00338 1/20 0.72
ADRB2 P07550 1/20 0.72
FBP1 P09467 1/20 0.72
ADORA1 P30542 1/20 0.72
PRKAG1 P54619 1/20 0.72
PRKAA2 P54646 1/20 0.72
PDE4D Q08499 1/20 0.72
KCNH2 Q12809 1/20 0.72
PRKAA1 Q13131 1/20 0.72
PDE3A Q14432 1/20 0.72

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
SCHEMBL13614594 0.91 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL13614589 0.91 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL14017382 0.91 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL14017387 0.91 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL22393104 0.89 ENPP1 (0.72) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL23922227 0.88 ENPP1 (0.71) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL22402627 0.88 ENPP1 (0.71) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL23922239 0.88 P2RY1 (0.64) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL622588 0.87 ADORA1 (0.69) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL5272719 0.86 ADORA1 (0.68) P2RY1P2RY2SRCSMN1; SMN2TAS1R3

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
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