SCHEMBL8613445

SCHEMBL8613445

Nc1nc(NC(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.64
▸ ADORA3 P0DMS8 5/20 0.64
▸ ADORA1 P30542 5/20 0.64
▸ CYP1A2 P05177 2/20 0.62
▸ ADORA2B P29275 2/20 0.62
▸ THPO P40225 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PDE2A O00408 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ CD99 P14209 1/20 0.60
▸ NT5E P21589 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.57

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
SCHEMBL8613458 1.00 ADORA2A (0.64) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL23780562 0.90 SLC29A1 (0.58) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8614480 0.90 SLC29A1 (0.58) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL23780561 0.90 SLC29A1 (0.58) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8614477 0.90 SLC29A1 (0.58) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8613394 0.86 ADORA2A (0.67) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL8613408 0.86 ADORA2A (0.67) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL8614745 0.86 SLC29A1 (0.51) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL8614735 0.86 SLC29A1 (0.51) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL8610576 0.84 ADORA2A (0.64) ADORA2AADORA3ADORA1CYP1A2ADORA2B

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
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