SCHEMBL4249589

SCHEMBL4249589

CCCCOC(=O)N=C(NC(=O)OC(C)(C)C)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSK P43235 2/20 0.30

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
SCHEMBL4249587 1.00 NOS1 (0.36) NOS1L3MBTL1NPC1ALDH1A1CYP1A2
SCHEMBL24177802 0.89 PCSK9 (0.33) NOS1ALDH1A1CYP1A2CYP2C19
SCHEMBL9012482 0.86 NOS1 (0.38) NOS1CTSK
SCHEMBL14135 0.85 RAB9A (0.32) NOS1L3MBTL1RAB9A
SCHEMBL13221 0.85 RAB9A (0.32) NOS1L3MBTL1RAB9A
SCHEMBL8121 0.85 RAB9A (0.32) NOS1L3MBTL1RAB9A
SCHEMBL8196578 0.81 NOS1 (0.34) NOS1
SCHEMBL2703386 0.80 NOS1 (0.50) NOS1
SCHEMBL13518677 0.80 RAB9A (0.32) NOS1L3MBTL1NPC1RAB9A
SCHEMBL13518680 0.80 RAB9A (0.32) NOS1L3MBTL1NPC1RAB9A

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-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed