SCHEMBL7844768

SCHEMBL7844768

N#Cc1ccc(N2CCN(c3ccc(N4C(=O)OC[C@H]4COc4ccncn4)cc3F)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 3/20 0.36
PARP1 P09874 11/20 0.35
TNK2 Q07912 1/20 0.35
TNK1 Q13470 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PARP2 Q9UGN5 2/20 0.34
AOC3 Q16853 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR7 P34969 1/20 0.34
PANK3 Q9H999 1/20 0.33

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
SCHEMBL7844298 0.91 TIPARP (0.36) TIPARPPARP1TNK2TNK1GPR119
SCHEMBL7844293 0.91 TIPARP (0.36) TIPARPPARP1TNK2TNK1GPR119
SCHEMBL6986552 0.85 PARP1 (0.40) TIPARPPARP1TNK2TNK1GPR119
SCHEMBL7832492 0.85 PARP1 (0.40) TIPARPPARP1TNK2TNK1GPR119
SCHEMBL6608314 0.84 KCNH2 (0.44) KCNH2
SCHEMBL6608489 0.79 PANK3 (0.38) PARP1TNK2TNK1KCNH2PANK3
SCHEMBL7849828 0.79 PANK3 (0.41) PARP1TNK2TNK1KCNH2PANK3
SCHEMBL6610427 0.79 PANK3 (0.39) PARP1TNK2TNK1KCNH2PANK3
SCHEMBL6609310 0.74 KCNH2 (0.44) KCNH2
SCHEMBL6607807 0.74 KCNH2 (0.44) KCNH2

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-1082322-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999064416-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 WO disclosed