SCHEMBL24254557

SCHEMBL24254557

Nc1ncnc2c1ncn2C1OC(COP(=O)(O)S)C(F)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.71
▸ P2RY2 P41231 3/20 0.71
▸ SRC P12931 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ TRPM2 O94759 2/20 0.71
▸ TAS1R3 Q7RTX0 2/20 0.71
▸ TAS1R1 Q7RTX1 2/20 0.71
▸ DNPH1 O43598 1/20 0.71
▸ PRKAB2 O43741 1/20 0.71
▸ LDHA P00338 1/20 0.71
▸ ADRB2 P07550 1/20 0.71
▸ FBP1 P09467 1/20 0.71
▸ ADORA1 P30542 1/20 0.71
▸ PRKAG1 P54619 1/20 0.71
▸ PRKAA2 P54646 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ PRKAA1 Q13131 1/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ P2RY11 Q96G91 1/20 0.71

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
SCHEMBL26255276 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL26255761 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22381966 0.92 NT5E (0.80) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22393014 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22402643 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL26361720 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL8862549 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL8862545 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL7459421 0.91 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL13996419 0.91 P2RY1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022035917-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2022-02-17 — — WO disclosed
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