SCHEMBL9212609

SCHEMBL9212609

CNc1ncnc2c1ncn2C1C(Cl)=C(CO)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.70
ADORA3 P0DMS8 9/20 0.51
ADORA1 P30542 6/20 0.50
YTHDC1 Q96MU7 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL9212599 1.00 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9219802 0.86 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9219813 0.86 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9214858 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL9216846 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL9214869 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL15389856 0.81 AHCY (0.71) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9219771 0.76 ADORA3 (0.55) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9219778 0.76 ADORA3 (0.55) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9213196 0.72 AHCY (0.73) AHCYADORA3ADORA1ADORA2A

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-0347852-B1 Novel neplanocin derivatives MERRELL DOW PHARMA (US) 1995-08-23 EP claimed
EP-0347852-A2 Novel neplanocin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-27 EP claimed
EP-0347852-B1 Novel neplanocin derivatives MERRELL DOW PHARMA (US) 1995-08-23 EP disclosed
EP-0347852-A2 Novel neplanocin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-27 EP disclosed