SCHEMBL7642296

SCHEMBL7642296

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCCCNC(=O)C(F)(F)F)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 2/20 0.65
▸ P2RY1 P47900 4/20 0.59
▸ ADORA1 P30542 4/20 0.59
▸ P2RY2 P41231 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ DNPH1 O43598 1/20 0.59
▸ PRKAB2 O43741 1/20 0.59
▸ TRPM2 O94759 1/20 0.59
▸ LDHA P00338 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ FBP1 P09467 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
▸ TAS1R3 Q7RTX0 1/20 0.59
▸ TAS1R1 Q7RTX1 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
SCHEMBL5249503 0.85 ADORA3 (0.58) PRKACAADORA1SMN1; SMN2ADORA3ADORA2B
SCHEMBL5249494 0.85 ADORA3 (0.58) PRKACAADORA1SMN1; SMN2ADORA3ADORA2B
SCHEMBL10786307 0.84 ADORA1 (0.72) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8328542 0.84 ADORA1 (0.74) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL5981804 0.84 ADORA1 (0.61) PRKACAADORA1SMN1; SMN2ADORA3ADORA2B
SCHEMBL5981813 0.84 ADORA1 (0.61) PRKACAADORA1SMN1; SMN2ADORA3ADORA2B
SCHEMBL8671033 0.82 EHMT1 (0.74) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8671037 0.82 EHMT1 (0.74) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL29936475 0.82 EHMT1 (0.74) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL9231760 0.82 EHMT1 (0.76) P2RY1ADORA1P2RY2SMN1; SMN2SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222309-A4 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2002-12-04 — — EP disclosed
EP-1222309-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 — — EP disclosed
WO-2001023613-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2001-04-05 — — WO disclosed
WO-2000004189-A1 MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2000-01-27 — — WO disclosed
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