SCHEMBL10534457

SCHEMBL10534457

O=C(OCCCCCn1cnc2c(O)ncnc21)n1[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.39
▸ ADORA2A P29274 3/20 0.36
▸ PDE3A Q14432 1/20 0.34
▸ TRPM2 O94759 1/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ PNP P00491 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL10532237 0.79 ADCY5 (0.46) ADCY5ADORA2APDE3ATRPM2FGFR1
Hydrochloric Acid SCHEMBL9561683 0.78 ADCY5 (0.45) ADCY5ADORA2APDE3ATRPM2FGFR1
SCHEMBL10362340 0.71 ADORA2A (0.61) ADCY5ADORA2ACYP1A2TSHRADORA1
SCHEMBL20974519 0.70 ADCY5 (0.56) ADCY5ADORA2APDE3ATRPM2FGFR1
SCHEMBL10896726 0.70 ADCY5 (0.40) ADCY5ADORA2ATRPM2FGFR1CYP1A2
SCHEMBL10902555 0.70 ADCY5 (0.40) ADCY5ADORA2ATRPM2FGFR1CYP1A2
SCHEMBL7812370 0.69 ADORA2A (0.63) ADCY5ADORA2ACYP1A2TSHRADORA1
SCHEMBL10889183 0.68 ADORA2A (0.39) ADCY5ADORA2ACYP1A2ADORA1
SCHEMBL6060865 0.66 ADORA2A (0.48) ADCY5ADORA2APDE3ACYP1A2TSHR
SCHEMBL20975063 0.66 ADCY5 (0.50) ADCY5ADORA2APDE3ATRPM2FGFR1

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