SCHEMBL13733633

SCHEMBL13733633

COc1ccc(-n2nccc2C2CCN(C)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.42
APP P05067 1/20 0.40
LMNA P02545 1/20 0.39
GPX4 P36969 2/20 0.39
IL2 P60568 1/20 0.39
MAP4K1 Q92918 1/20 0.39
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
DPP4 P27487 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
HIF1A Q16665 1/20 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
SCHEMBL16911833 0.80 UGCG (0.41) DPP4
SCHEMBL13735207 0.77 GAA (0.44) MAP4K1
SCHEMBL13735126 0.77 DRD4 (0.43)
SCHEMBL13734645 0.76 CHKA (0.39) LMNA
SCHEMBL13735009 0.75 ALDH1A1 (0.40) LMNA
SCHEMBL13734629 0.73 ROCK2 (0.45)
SCHEMBL13734830 0.73 NT5E (0.45)
SCHEMBL13735480 0.69 GAA (0.36) QDPR
SCHEMBL19308718 0.69 PRCP (0.45) LMNA
SCHEMBL16827941 0.69 PRCP (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed