SCHEMBL9685322

SCHEMBL9685322

CNc1ncnc2c1ncn2C1CCC(OCP(=O)(O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.60
P2RY1 P47900 4/20 0.55
ADCY5 O95622 3/20 0.52
P2RY2 P41231 1/20 0.45
ADORA3 P0DMS8 5/20 0.44
ADORA1 P30542 1/20 0.43

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
SCHEMBL9685083 0.84 ADCY5 (0.54) P2RY1ADCY5
SCHEMBL9684255 0.84 ADCY5 (0.72) ADCY5ADORA3ADORA1
SCHEMBL24196378 0.77 YTHDC1 (1.00) YTHDC1ADORA3ADORA1
SCHEMBL10421735 0.76 ADCY5 (0.60) ADCY5ADORA3ADORA1
SCHEMBL15948724 0.76 ADCY5 (0.60) ADCY5ADORA3ADORA1
SCHEMBL8660803 0.73 ADCY5 (0.65) ADCY5ADORA3ADORA1
SCHEMBL9686498 0.73 ADCY5 (0.49) YTHDC1P2RY1ADCY5
SCHEMBL9686043 0.73 NT5E (0.49) P2RY1ADCY5ADORA3ADORA1
SCHEMBL14851147 0.73 ADORA3 (0.44) YTHDC1P2RY1P2RY2ADORA3ADORA1
SCHEMBL9686502 0.72 ADCY5 (0.46) YTHDC1P2RY1ADCY5

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