SCHEMBL7367195

SCHEMBL7367195

O=C(O)C1CCN(C2CCCC3C2OC(=O)N3C2CCN(c3ccnc(Nc4ccncc4)n3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
ALK Q9UM73 3/20 0.37
JAK2 O60674 11/20 0.36
JAK1 P23458 10/20 0.36
TYK2 P29597 10/20 0.36
SYK P43405 2/20 0.36
NFKB1 P19838 2/20 0.36
NR2C2 P49116 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
TAB1 Q15750 2/20 0.36
FLT3 P36888 1/20 0.35
TNK2 Q07912 1/20 0.35
IGF1R P08069 1/20 0.34

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
SCHEMBL7342860 0.94 ALK (0.42) PARP1ALKJAK2JAK1TYK2
SCHEMBL7367199 0.90 PARP1 (0.38) PARP1ALKJAK2JAK1TYK2
SCHEMBL7350171 0.86 HRH4 (0.45)
SCHEMBL7340532 0.85 OGA (0.42) ALKIGF1R
SCHEMBL27513701 0.84 ALK (0.42) PARP1ALKJAK2JAK1TYK2
SCHEMBL7342864 0.84 PARP1 (0.40) PARP1ALKNFKB1NR2C2NFKB2
SCHEMBL7344255 0.84 HRH3 (0.42)
SCHEMBL27512997 0.80 SYK (0.39) ALKJAK2JAK1TYK2SYK
SCHEMBL27514045 0.78 HSD11B1 (0.37)
SCHEMBL7376503 0.78 OGA (0.41) ALKSYKIGF1R

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-0891359-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-01-20 EP disclosed
WO-1997036899-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1997-10-09 WO disclosed