SCHEMBL8070451

SCHEMBL8070451

CC(C)=CCC[C@@H](C)CCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.59
▸ TNF P01375 4/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ GLA P06280 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CHIT1 Q13231 1/20 0.47
▸ CHIA Q9BZP6 1/20 0.47

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
SCHEMBL8070447 1.00 ADORA2B (0.59) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8070445 1.00 ADORA2B (0.59) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8071858 0.93 ADORA2B (0.58) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8071859 0.93 ADORA2B (0.58) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8071861 0.93 ADORA2B (0.58) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL10346510 0.84 ADORA2B (0.67) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL22471611 0.80 ADORA2B (0.63) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6778927 0.79 ADORA2B (0.52) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6778928 0.79 ADORA2B (0.52) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6783886 0.79 ADORA2B (0.52) ADORA2BTNFUSP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 — — US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 — — US disclosed
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 — — US disclosed
US-5521315-A Olefin substituted long chain compounds CELL THERAPEUTICS, INC. (US) 1996-05-28 — — US disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 — — WO disclosed
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