SCHEMBL6996678

SCHEMBL6996678

COc1ccc(COCc2nc3[nH]c(=O)cc(N)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TYMS P04818 1/20 0.40
LMNA P02545 1/20 0.39
MMP13 P45452 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP4 P15090 3/20 0.38
HTT P42858 2/20 0.36
PNP P00491 1/20 0.36
FABP3 P05413 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL7003073 0.70 PDE1B (0.36) TYMSLMNAMAPTMEN1KMT2A
SCHEMBL7003301 0.67 ADORA2A (0.35) TYMSLMNAALDH1A1MAPTMEN1
SCHEMBL7969932 0.66 MTNR1A (0.76) TYMSMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL34413 0.65 IDO1 (0.67) ALDH1A1HTTCYP3A4SMN1; SMN2
SCHEMBL1958423 0.64 GAA (0.59) TYMSMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8581842 0.64 KMT2A (0.70) ABL1RIN1MTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL28912134 0.63 IDO1 (0.68) ALDH1A1HTTCYP3A4SMN1; SMN2
Methoxymethane SCHEMBL28823290 0.63 IDO1 (0.64) ALDH1A1HTTCYP3A4SMN1; SMN2
Potassium SCHEMBL1477050 0.63 IDO1 (0.64) ALDH1A1HTTCYP3A4SMN1; SMN2
Bromide SCHEMBL28558295 0.63 IDO1 (0.64) ALDH1A1HTTCYP3A4SMN1; SMN2

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
EP-1087973-B1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-08 EP disclosed
US-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
EP-1087973-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY Boehringer Ingelheim Pharma KG (DE) 2001-04-04 EP disclosed
WO-2000012511-A1 IMIDAZOTRIAZOLOPYRIMIDINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-09 WO disclosed
WO-1999065912-A1 IMIDAZOTRIAZOLOPYRIMIDINES USED AS A DRUG HAVING AN ADENOSINE ANTAGONIST ACTIVITY BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-23 WO disclosed