SCHEMBL20806069

SCHEMBL20806069

BNc1ncnc2c1ncn2[C@H]1CCC(COP(O)(=S)OCCC#N)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL20806101 1.00 TAS1R3 (0.37) TAS1R3TAS1R1ABL1RIN1ADORA1
SCHEMBL20026293 0.85 P2RY12 (0.43) —
SCHEMBL22524035 0.77 YTHDC1 (0.50) ADORA1
SCHEMBL20353076 0.77 P2RY12 (0.45) ABL1RIN1
SCHEMBL22524082 0.77 ADORA3 (0.47) TAS1R3TAS1R1ADORA1
SCHEMBL19145868 0.76 P2RY12 (0.40) ABL1RIN1
SCHEMBL19146392 0.75 P2RY12 (0.42) ABL1RIN1
SCHEMBL22336945 0.75 KDM4E (0.51) TAS1R3TAS1R1ALDH1A1LMNAALB
SCHEMBL24444139 0.74 ADORA1 (0.43) ADORA1
SCHEMBL20324865 0.74 P2RY1 (0.59) TAS1R3TAS1R1

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-2019051489-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. (US) 2019-03-14 — — WO disclosed
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