SCHEMBL8610836

SCHEMBL8610836

CC(=O)Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ADORA2A P29274 7/20 0.51
▸ ADORA3 P0DMS8 5/20 0.51
▸ ADORA1 P30542 5/20 0.51
▸ PDE2A O00408 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ SLC29A1 Q99808 2/20 0.47
▸ CD99 P14209 1/20 0.46
▸ ADORA2B P29275 1/20 0.45
▸ NT5E P21589 1/20 0.42

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
SCHEMBL8610847 1.00 KDM4E (0.53) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8613545 0.89 KDM4E (0.50) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8613540 0.89 KDM4E (0.50) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8614745 0.86 SLC29A1 (0.51) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8614735 0.86 SLC29A1 (0.51) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8613394 0.84 ADORA2A (0.67) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8613408 0.84 ADORA2A (0.67) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8615046 0.83 ADORA2A (0.55) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8615037 0.83 ADORA2A (0.55) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970966 0.82 ADORA3 (0.60) KDM4EPKMADORA2AADORA3ADORA1

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
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 — — US claimed
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