SCHEMBL8614735

SCHEMBL8614735

O=C(Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c2n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.51
▸ CD99 P14209 1/20 0.49
▸ ADORA2A P29274 5/20 0.48
▸ ADORA3 P0DMS8 4/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ PDE2A O00408 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL8614745 1.00 SLC29A1 (0.51) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8610836 0.86 KDM4E (0.53) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8610847 0.86 KDM4E (0.53) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8613445 0.86 ADORA2A (0.64) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8613458 0.86 ADORA2A (0.64) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL23780562 0.85 SLC29A1 (0.58) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8614477 0.85 SLC29A1 (0.58) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8614480 0.85 SLC29A1 (0.58) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL23780561 0.85 SLC29A1 (0.58) SLC29A1CD99ADORA2AADORA3ADORA1
SCHEMBL8613540 0.83 KDM4E (0.50) SLC29A1CD99ADORA2AADORA3ADORA1

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
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 — — US claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 — — WO disclosed
Send feedback