SCHEMBL7146982

SCHEMBL7146982

N#CCc1ccc2nc(NN)nc(-c3cccc(Cl)c3)c2c1-c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
ADORA1 P30542 8/20 0.37
ADORA2A P29274 6/20 0.37
ADORA2B P29275 3/20 0.35
GRM5 P41594 2/20 0.35
BACE1 P56817 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5656222 0.71 MAPT (0.53) GAAMAPTADORA1ADORA2AADORA2B
SCHEMBL14588482 0.63 MAPT (0.59) GAAMAPTADORA1ADORA2AADORA2B
SCHEMBL2761139 0.61 MAOB (0.44) GAAADORA1ADORA2AADORA2BPDE4B
SCHEMBL11704650 0.60 MAPT (1.00) GAAMAPTADORA1KMT2AMEN1
SCHEMBL21805040 0.59 KCNA5 (0.43) ADORA1ADORA2AADORA2BPDE4BPDE4D
SCHEMBL23621132 0.59 TAAR1 (0.59) BACE1
SCHEMBL11728696 0.57 PTGES (0.47) MAPTADORA1ADORA2AADORA2BKMT2A
SCHEMBL5593362 0.57 AGTR1 (0.74) GAAMAPTADORA1ADORA2AKMT2A
SCHEMBL5658316 0.57 MAPT (0.41) GAAMAPTADORA1ADORA2AADORA2B
SCHEMBL10810284 0.56 ADORA1 (0.48) GAAMAPTADORA1ADORA2AADORA2B

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-1322636-A1 FARNESYL TRANSFERASE INHIBITING 6- (SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024683-A1 FARNESYL TRANSFERASE INHIBITING 6-[(SUBSTITUTED PHENYL)METHYL]-QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed