SCHEMBL6556841

SCHEMBL6556841

Cn1cncc1-c1c(CN)c(-c2ccc(Cl)cc2)cc2c1c(-c1cccc(Cl)c1)nc1nnnn12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.52
FNTB P49356 12/20 0.52
PGGT1B P53609 2/20 0.52
IDO1 P14902 2/20 0.41
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL2177983 0.79 FNTA (0.54) FNTAFNTBPGGT1BIDO1
SCHEMBL7644048 0.78 FNTA (0.52) FNTAFNTBPGGT1BIDO1
SCHEMBL7091902 0.75 FNTA (0.54) FNTAFNTBPGGT1BIDO1
SCHEMBL7092843 0.74 FNTA (0.53) FNTAFNTBPGGT1BIDO1
SCHEMBL7092101 0.73 IDO1 (0.46) FNTAFNTBPGGT1BIDO1MAPK1
SCHEMBL7089905 0.73 IDO1 (0.47) FNTAFNTBPGGT1BIDO1MAPK1
SCHEMBL7091956 0.72 IDO1 (0.47) FNTAFNTBPGGT1BIDO1MAPK1
SCHEMBL7645087 0.72 IDO1 (0.44) FNTAFNTBPGGT1BIDO1MEN1
SCHEMBL7091512 0.71 IDO1 (0.43) FNTAFNTBPGGT1BIDO1MAPK1
SCHEMBL6554711 0.71 FNTA (0.39) FNTAFNTBPGGT1BMEN1CYP1A2

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 6 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 claimed
EP-1255537-A2 FARNESYL PROTEIN TRANSFERASE INHIBITORS FOR TREATING BREAST CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-13 EP claimed
WO-2002085364-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS FOR TREATING CACHEXIA JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-31 WO claimed
WO-2001056552-A2 FARNESYL PROTEIN TRANSFERASE INHIBITORS FOR TREATING BREAST CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-09 WO claimed
EP-1261341-A2 FARNESYL PROTEIN TRANSFERASE INHIBITOR COMBINATIONS WITH CAMPTOTHECIN COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-04 EP disclosed
WO-2001064194-A2 FARNESYL PROTEIN TRANSFERASE INHIBITOR COMBINATIONS WITH CAMPTOTHECIN COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2001-09-07 WO disclosed