SCHEMBL5731246

SCHEMBL5731246

Cc1nc(N)c2nc(O)n(Cc3ccc4ccccc4c3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.44
TLR7 Q9NYK1 3/20 0.43
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.41
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
VDR P11473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.37
CHKA P35790 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
SCHEMBL5730944 0.86 TLR7 (0.55) TLR7ALDH1A1
SCHEMBL5730974 0.83 TLR7 (0.43) TLR7KMT2AALDH1A1MEN1
SCHEMBL5731691 0.83 TLR7 (0.43) TLR7ALDH1A1SMN1; SMN2
SCHEMBL5731373 0.82 TLR7 (0.42) TLR7KMT2AALDH1A1SMN1; SMN2VDR
SCHEMBL5730510 0.82 TLR7 (0.47) TLR7KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5731812 0.82 TLR7 (0.41) TLR7KMT2AALDH1A1SMN1; SMN2HIF1A
SCHEMBL5731978 0.81 KDM4E (0.47) TLR7KMT2AALDH1A1SMN1; SMN2
SCHEMBL4463674 0.80 TLR7 (0.59) TLR7
SCHEMBL10309744 0.80 TLR7 (0.40) TLR7KMT2AALDH1A1MEN1
SCHEMBL5730847 0.80 TLR7 (0.43) FBP1TLR7PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043021-B1 PURINE DERIVATIVES FOR THE TREATMENT OF ALLERGIC DISEASES AND SYSTEMIC LUPUS ERYTHEMATOSUS DAINIPPON SUMITOMO PHARMA CO (JP) 2006-05-03 EP disclosed
EP-0882727-B9 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2005-06-15 EP disclosed
EP-0882727-B1 NOVEL PURINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-12-01 EP disclosed
US-6376501-B1 INHIBITING OR REGULATING IMMUNE RESPONSE USING PURINE-DERIVED COMPOUND; NON-STEROIDAL COMPOUND JAPAN ENERGY CORPORATION (JP) 2002-04-23 US disclosed
EP-1043021-A1 TYPE 2 HELPER T CELL-SELECTIVE IMMUNE RESPONSE SUPPRESSORS Japan Energy Corporation (JP) 2000-10-11 EP disclosed
US-6028076-A FOR INDUCING .ALPHA.-INTERFERON IN A PATIENT HAVING HEPATITIS B OR C, BY ADMINISTERING PURINE DERIVATIVE JAPAN ENERGY CORPORATION (JP) 2000-02-22 US disclosed
EP-0882727-A1 NOVEL PURINE DERIVATIVES JAPAN ENERGY CORPORATION (JP) 1998-12-09 EP disclosed