SCHEMBL15527469

SCHEMBL15527469

Cc1ncnc2c1ncn2[C@@H]1O[C@H](COS)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.55
▸ P2RY1 P47900 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ P2RY2 P41231 3/20 0.55
▸ SRC P12931 2/20 0.55
▸ DNPH1 O43598 1/20 0.55
▸ PRKAB2 O43741 1/20 0.55
▸ TRPM2 O94759 1/20 0.55
▸ LDHA P00338 1/20 0.55
▸ ADRB2 P07550 1/20 0.55
▸ FBP1 P09467 1/20 0.55
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA2 P54646 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ PRKAA1 Q13131 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ P2RY11 Q96G91 1/20 0.55

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
SCHEMBL2052404 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1682931 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7102267 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL20419310 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8214557 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL23982476 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2404574 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL17612281 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13777066 0.85 DPP4 (0.59) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1682932 0.85 SLC29A1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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
EP-2852684-A1 NON-THIOPURINE METHYLTRANSFERASE RELATED EFFECTS IN 6-MERCAPTOPURINE THERAPY Guy's And St. Thomas' NHS Foundation Trust (GB) 2015-04-01 — — EP claimed
WO-2013164757-A1 NON-THIOPURINE METHYLTRANSFERASE RELATED EFFECTS IN 6-MERCAPTOPURINE THERAPY GUY'S AND ST. THOMAS' NHS FOUNDATION TRUST (GB) 2013-11-07 — — WO claimed
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