SCHEMBL9219802

SCHEMBL9219802

CNc1ncnc2c1ncn2C1C(F)=C(CO)[C@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.70
ADORA3 P0DMS8 7/20 0.51
ADORA1 P30542 4/20 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
SCHEMBL9219813 1.00 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL15389856 0.92 AHCY (0.71) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9212599 0.86 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9212609 0.86 AHCY (0.70) AHCYADORA3ADORA1YTHDC1ADORA2A
Fluoro-Neplanocin A SCHEMBL9214735 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
Fluoro-Neplanocin A SCHEMBL9215628 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
Fluoro-Neplanocin A SCHEMBL9214745 0.82 AHCY (1.00) AHCYADORA3ADORA1ADORA2AADORA2B
SCHEMBL15389855 0.81 ADORA3 (0.53) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9221842 0.76 AHCY (0.67) AHCYADORA3ADORA1YTHDC1ADORA2A
SCHEMBL9221846 0.76 AHCY (0.67) AHCYADORA3ADORA1YTHDC1ADORA2A

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 2 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 disclosed
EP-0347852-A2 Novel neplanocin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-27 EP disclosed