SCHEMBL4886620

SCHEMBL4886620

CN1C=C(N)c2cnn(-c3cccc(C(=O)OCc4ccccc4)c3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.43
USP7 Q93009 2/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
MAOB P27338 2/20 0.39
ADORA2A P29274 2/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.37
ADORA2B P29275 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
SCHEMBL6167298 0.75 ALDH1A1 (0.58) RAB9ATDP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL303719 0.73 TDP1 (0.45) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL14022280 0.72 TDP1 (0.44) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL1774427 0.69 TDP1 (0.44) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL6165847 0.67 RAB9A (0.50) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL312910 0.67 TDP1 (0.81) JMJD6RAB9ATDP1MAPTKMT2A
SCHEMBL19527664 0.66 SMN1; SMN2 (0.52) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL19527579 0.66 SMN1; SMN2 (0.49) JMJD6RAB9ATDP1MAPTL3MBTL1
SCHEMBL8761237 0.66 TDP1 (0.69) JMJD6RAB9ATDP1MAPTKMT2A
SCHEMBL913728 0.66 TDP1 (0.69) JMJD6RAB9ATDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135578-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION AND/OR ALLERGIC CONDITIONS GLAXO GROUP LIMITED (GB) 2008-11-13 WO disclosed