SCHEMBL21417491

SCHEMBL21417491

Nc1ncnc2c1ncn2C1CCC(COP(=O)(S)O[C@@H]2C(COP(=O)(O)S)OC(n3cnc4c(=O)[nH]cnc43)[C@@H]2O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.51
▸ P2RY2 P41231 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ P2RX3 P56373 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
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 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
SCHEMBL21539899 0.88 ALDH1A1 (0.49) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22352078 0.87 RNASEL (0.52) RNASELNT5E
SCHEMBL20224939 0.87 RNASEL (0.49) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20326954 0.85 STING1 (0.47) NT5E
SCHEMBL20324534 0.85 STING1 (0.47) NT5E
SCHEMBL21417134 0.84 RNASEL (0.70) RNASEL
SCHEMBL20327588 0.84 P2RY2 (0.48) P2RY2TAS1R3TAS1R1RNASELNT5E
SCHEMBL21298915 0.84 RNASEL (0.45) P2RY1P2RY2SRCSMN1; SMN2P2RX3
SCHEMBL22352140 0.84 NT5E (0.49) P2RY1P2RY2SRCSMN1; SMN2P2RX3
SCHEMBL23476818 0.83 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2P2RX3

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-3546473-A1 CYCLIC [(2',5')P(3',5')P]-DINUCLEOTIDES FOR CYTOKINE INDUCTION Kayla Therapeutics (FR) 2019-10-02 — — EP disclosed
Send feedback