SCHEMBL3961024

SCHEMBL3961024

CCCCOc1nc(N2CCOCC2)c2nc(C(=O)OCC)n(Cc3ccc(Cl)c(Cl)c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.46
PIK3C2B O00750 1/20 0.46
IL6 P05231 1/20 0.41
PDE10A Q9Y233 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
STAT6 P42226 1/20 0.40
PKM P14618 1/20 0.40
DYRK1A Q13627 1/20 0.40
P2RY12 Q9H244 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3954991 0.91 PIK3C2B (0.50) TLR7PIK3C2BIL6PDE10ASMN1; SMN2
SCHEMBL4035856 0.76 TLR7 (0.49) TLR7IL6SMN1; SMN2LMNASTAT6
SCHEMBL13906412 0.69 HPGD (0.42) TLR7SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL3957931 0.68 L3MBTL1 (0.42) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL24402238 0.68 PIK3CA (0.46) LMNAPKMDYRK1AKDM4EALDH1A1
SCHEMBL26071991 0.68 HDAC1 (0.47) PKMKDM4EALDH1A1
SCHEMBL6300528 0.68 PIK3C2B (0.53) PIK3C2BSMN1; SMN2LMNAKDM4E
SCHEMBL2060258 0.67 TLR7 (0.74) TLR7IL6
SCHEMBL4040897 0.66 TLR7 (0.50) TLR7IL6ALDH1A1
SCHEMBL3963207 0.66 HRH4 (0.54) SMN1; SMN2LMNAPKMKDM4EALDH1A1

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed