SCHEMBL4360139

SCHEMBL4360139

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.75
RNASEL Q05823 4/20 0.75
P2RY2 P41231 3/20 0.75
SRC P12931 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
P2RX1 P51575 1/20 0.75
P2RX3 P56373 1/20 0.75
P2RX4 Q99571 1/20 0.75
P2RX2 Q9UBL9 1/20 0.75
ALDH1A1 P00352 1/20 0.75
ADORA1 P30542 2/20 0.75
DNPH1 O43598 1/20 0.75
PRKAB2 O43741 1/20 0.75
TRPM2 O94759 1/20 0.75
LDHA P00338 1/20 0.75
ADRB2 P07550 1/20 0.75
FBP1 P09467 1/20 0.75
PRKAG1 P54619 1/20 0.75
PRKAA2 P54646 1/20 0.75
PDE4D Q08499 1/20 0.75

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
SCHEMBL905456 0.95 RNASEL (0.79) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL29440267 0.95 RNASEL (0.79) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL15498428 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL31266503 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL29431883 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL23867092 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL42104 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL1061029 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL21067751 0.95 P2RY1 (0.83) P2RY1RNASELP2RY2SRCSMN1; SMN2
SCHEMBL1620285 0.94 RNASEL (0.81) P2RY1RNASELP2RY2SRCSMN1; SMN2

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
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed