SCHEMBL20763149

SCHEMBL20763149

Nc1ncnc2c1ncn2[C@@H]1OC(COP(=O)(O)S)C[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.59
▸ P2RY2 P41231 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TRPM2 O94759 2/20 0.59
▸ TAS1R3 Q7RTX0 2/20 0.59
▸ TAS1R1 Q7RTX1 2/20 0.59
▸ DNPH1 O43598 1/20 0.59
▸ PRKAB2 O43741 1/20 0.59
▸ LDHA P00338 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ FBP1 P09467 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ PRKAG1 P54619 1/20 0.59
▸ PRKAA2 P54646 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PRKAA1 Q13131 1/20 0.59
▸ PDE3A Q14432 1/20 0.59
▸ P2RY11 Q96G91 1/20 0.59

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
SCHEMBL22351931 1.00 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL29327697 1.00 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20419314 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20225034 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL809284 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL23982296 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL21417133 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL7615369 0.92 P2RY1 (0.64) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL284986 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20325241 0.92 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
WO-2019034866-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 — — WO disclosed
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