SCHEMBL9686007

SCHEMBL9686007

Nc1ncnc2c1ncn2C1CCC(CC(F)(F)P(=O)(O)O)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 11/20 0.64
ADORA2A P29274 4/20 0.55
PI4KA P42356 3/20 0.53
PI4K2B Q8TCG2 3/20 0.53
PI4K2A Q9BTU6 3/20 0.53
PI4KB Q9UBF8 3/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADORA1 P30542 2/20 0.53
ADORA2B P29275 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL9685043 0.88 ADCY5 (0.47) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9618444 0.87 ADCY5 (0.60) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL21636982 0.81 ADCY5 (0.66) ADCY5ADORA2AADORA1SMN1; SMN2
SCHEMBL10474172 0.80 ADCY5 (0.74) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL24465167 0.79 ADCY5 (0.64) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL20434928 0.79 ADCY5 (0.64) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9685235 0.79 ADCY5 (0.64) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL20434932 0.79 ADCY5 (0.64) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045780 0.78 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6045752 0.78 ADCY5 (1.00) ADCY5ADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468866-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP claimed
EP-0468866-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed
EP-0468119-A1 Novel carbocyclic analogs of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed