SCHEMBL7305741

SCHEMBL7305741

CCCc1nn(C)c(C(N)=O)c1NC(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.49
TERT O14746 5/20 0.48
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7315114 0.81 TERT (0.54) TERTALDH1A1MAPK1RAB9A
SCHEMBL7319178 0.81 TERT (0.54) TERTALDH1A1RAB9A
SCHEMBL7315148 0.78 AOC3 (0.51) TERTADORA2ARAB9A
SCHEMBL7316154 0.78 TERT (0.52) MAPK8TERTALDH1A1RAB9A
SCHEMBL7313692 0.78 TERT (0.52) MAPK8TERTADORA2BADORA1HDAC1
SCHEMBL7308029 0.77 TERT (0.57) TERTALDH1A1RAB9A
SCHEMBL7301563 0.73 TERT (0.61) MAPK8TERTALDH1A1MAPK1
SCHEMBL13359258 0.70 HPGD (0.64) MAPK8HDAC1HDAC8ALDH1A1MAPK1
SCHEMBL6326110 0.69 TERT (0.55) TERTALDH1A1RAB9A
SCHEMBL8636561 0.68 MAPK8 (0.67) MAPK8HDAC1HDAC8ALDH1A1RAB9A

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
EP-0911333-B1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER (US) 2002-04-10 EP disclosed
US-6235742-B1 CARDIOVASCULAR DISORDERS; ANTIALLERGENS PFIZER INC. 2001-05-22 US disclosed
EP-0911333-A1 Pyrazolo[4,3-d]pyrimidine derivatives and pharmaceutical compositions containing them PFIZER INC. (US) 1999-04-28 EP disclosed