SCHEMBL6556599

SCHEMBL6556599

Cn1cncc1-c1c(-c2cccc(Cl)c2)c2c(-c3ccc(Cl)cc3)c(CO)ccc2n2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
FNTA P49354 11/20 0.41
FNTB P49356 11/20 0.41
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNH2 Q12809 1/20 0.32
JAK2 O60674 2/20 0.32
PTPN11 Q06124 1/20 0.32
JAK1 P23458 1/20 0.32
BACE1 P56817 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL7095527 0.83 IDO1 (0.44) IDO1FNTAFNTBMAPK1PGGT1B
SCHEMBL7094385 0.80 IDO1 (0.48) IDO1FNTAFNTBMAPK1GSK3B
SCHEMBL7645793 0.76 FNTA (0.47) IDO1FNTAFNTBMAPK1KCNH2
SCHEMBL7645087 0.75 IDO1 (0.44) IDO1FNTAFNTBKCNH2PGGT1B
SCHEMBL7089979 0.74 RORC (0.41) IDO1GSK3BDYRK1A
SCHEMBL7217940 0.73 FNTA (0.39) IDO1FNTAFNTBKCNH2
SCHEMBL7643836 0.73 FNTA (0.47) IDO1FNTAFNTBPGGT1B
SCHEMBL7087668 0.72 IDO1 (0.39) IDO1FNTAFNTBMAPK1GSK3B
SCHEMBL7092213 0.71 IDO1 (0.39) IDO1GSK3BDYRK1AKCNH2
SCHEMBL7210392 0.70 IDO1 (0.52) IDO1FNTAFNTBMAPK1KCNH2

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-1390033-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS FOR TREATING CACHEXIA JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-25 EP disclosed
WO-2002085364-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS FOR TREATING CACHEXIA JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-31 WO disclosed