SCHEMBL9394647

SCHEMBL9394647

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1=C(Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.60
▸ ADORA2A P29274 2/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ PI4KA P42356 2/20 0.60
▸ PI4K2B Q8TCG2 2/20 0.60
▸ PI4K2A Q9BTU6 2/20 0.60
▸ PI4KB Q9UBF8 2/20 0.60
▸ ADORA1 P30542 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ STAT6 P42226 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ DOT1L Q8TEK3 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60

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
SCHEMBL9394642 1.00 ADORA3 (0.60) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9393765 0.89 ADORA3 (0.60) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9393769 0.89 ADORA3 (0.60) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL8807365 0.84 ADORA3 (0.62) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL30870546 0.84 ADORA3 (0.62) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL8807358 0.84 ADORA3 (0.62) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9397420 0.83 ADORA3 (0.58) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9397412 0.83 ADORA3 (0.58) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9397425 0.83 ADORA3 (0.58) ADORA3ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL9397365 0.81 ADORA3 (0.58) ADORA3ADORA2AADORA2BPI4KAPI4K2B

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-0365849-B1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl adenosine derivatives MERRELL DOW PHARMA (US) 1994-09-14 — — EP disclosed
EP-0365849-A2 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl adenosine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-02 — — EP disclosed
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