SCHEMBL21132954

SCHEMBL21132954

CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ P2RY1 P47900 5/20 0.59
▸ ENPP1 P22413 4/20 0.59
▸ P2RY2 P41231 3/20 0.57
▸ SRC P12931 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ DNPH1 O43598 1/20 0.57
▸ PRKAB2 O43741 1/20 0.57
▸ TRPM2 O94759 1/20 0.57
▸ LDHA P00338 1/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ FBP1 P09467 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ PRKAA2 P54646 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ PRKAA1 Q13131 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.57

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
SCHEMBL8616900 0.93 P2RY1 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL25565174 0.90 POLB (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL8742200 0.89 POLB (0.77) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL12850611 0.89 POLB (0.77) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL12932298 0.89 P2RX3 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL31069787 0.89 P2RX3 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL1062774 0.89 P2RX3 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL18311990 0.88 POLB (0.61) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL21698147 0.88 POLB (0.61) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL16919748 0.88 POLB (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505527-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 — — EP disclosed
Send feedback