SCHEMBL8613545

SCHEMBL8613545

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ADORA2A P29274 5/20 0.48
▸ ADORA3 P0DMS8 4/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ PDE2A O00408 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ CD99 P14209 1/20 0.46
▸ ADORA2B P29275 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.41
▸ NT5E P21589 1/20 0.41

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
SCHEMBL8613540 1.00 KDM4E (0.50) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL23710625 0.91 KDM4E (0.60) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8610847 0.89 KDM4E (0.53) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8610836 0.89 KDM4E (0.53) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8610576 0.85 ADORA2A (0.64) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8610581 0.85 ADORA2A (0.64) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8612776 0.84 ADORA3 (0.52) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8612786 0.84 ADORA3 (0.52) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8614735 0.83 SLC29A1 (0.51) KDM4EPKMADORA2AADORA3ADORA1
SCHEMBL8614745 0.83 SLC29A1 (0.51) 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
Send feedback