SCHEMBL7849828

SCHEMBL7849828

N#Cc1ccc(OCC2COC(=O)N2c2ccc(N3CCN(c4ccc(C#N)nn4)CC3)c(F)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 14/20 0.41
RIPK1 Q13546 1/20 0.35
QPCT Q16769 2/20 0.35
PARP1 P09874 1/20 0.34
TNK2 Q07912 1/20 0.34
TNK1 Q13470 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL6610427 0.91 PANK3 (0.39) PANK3RIPK1QPCTPARP1TNK2
SCHEMBL6608489 0.91 PANK3 (0.38) PANK3RIPK1QPCTPARP1TNK2
SCHEMBL7849825 0.82 KCNH2 (0.47) PANK3KCNH2
SCHEMBL7844298 0.79 TIPARP (0.36) PANK3PARP1TNK2TNK1KCNH2
SCHEMBL7844293 0.79 TIPARP (0.36) PANK3PARP1TNK2TNK1KCNH2
SCHEMBL7844768 0.79 TIPARP (0.36) PANK3PARP1TNK2TNK1KCNH2
SCHEMBL7832492 0.75 PARP1 (0.40) PANK3PARP1TNK2TNK1
SCHEMBL6986552 0.75 PARP1 (0.40) PANK3PARP1TNK2TNK1
SCHEMBL7078238 0.75 PANK3 (0.44) PANK3RIPK1PARP1TNK2TNK1
SCHEMBL7077082 0.75 KCNH2 (0.45) PANK3KCNH2

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