SCHEMBL9561545

SCHEMBL9561545

OCCOCCn1cnc2c(O)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ FGFR1 P11362 2/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ NSD3 Q9BZ95 5/20 0.44
▸ NSD2 O96028 4/20 0.44
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADCY1 Q08828 1/20 0.40
▸ ADCY5 O95622 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL8446150 0.87 PNP (0.51) ADORA2AADORA1FGFR1SLC22A6
SCHEMBL10889158 0.84 ADORA2A (0.68) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL7812370 0.80 ADORA2A (0.63) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL10362340 0.79 ADORA2A (0.61) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL9561541 0.73 HPRT1 (0.63) —
SCHEMBL28770510 0.73 ADORA2A (0.47) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL6013391 0.73 ADORA2A (0.64) ADORA2AADORA1CYP1A2CYP2D6MAPK1
SCHEMBL20404701 0.71 ENPP1 (0.43) ADORA2AADORA1FGFR1SLC22A6LMNA
Hydrochloric Acid SCHEMBL10890931 0.71 NSD3 (0.43) ADORA2AADORA1FGFR1SLC22A6NSD3
SCHEMBL10582562 0.71 PNP (0.50) ADORA2AADORA1FGFR1SLC22A6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 — — EP disclosed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 — — EP disclosed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 — — WO disclosed
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