SCHEMBL10889336

SCHEMBL10889336

CC(NC(=O)C(C)C(=O)OCCn1cnc2c(O)ncnc21)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ IARS1 P41252 1/20 0.38
▸ DAPK1 P53355 1/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ TMIGD3 P0DMS9 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL10889183 0.72 ADORA2A (0.39) RAB9AKMT2APDE4APDE4BPDE4C
SCHEMBL10896726 0.67 ADCY5 (0.40) ADORA2A
SCHEMBL10902555 0.67 ADCY5 (0.40) ADORA2A
SCHEMBL14028468 0.67 ADORA2A (0.59) RAB9AKMT2ADAPK1ADORA2ATMIGD3
SCHEMBL2979897 0.66 ADORA2A (0.68) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL10773324 0.65 CTRB1 (0.54) ATMMAPT
SCHEMBL10773321 0.65 CTRB1 (0.54) ATMMAPT
SCHEMBL9554893 0.65 ATM (0.53) ATMTDP1MAPT
SCHEMBL29451987 0.65 CTRB1 (0.54) ATMMAPT
SCHEMBL10645951 0.65 OPRD1 (0.54) —

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-0077460-B1 PURINE COMPOUNDS ENDOWED WITH IMMUNOMODULATING ACTIVITY CO PHARMA CORPORATION S.r.l. (IT) 1986-10-15 — — EP disclosed
US-4567182-A PURINE DERIVATIVES CO PHARMA CORPORATION S.R.L. (IT) 1986-01-28 — — US disclosed
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