SCHEMBL2654447

SCHEMBL2654447

CCNc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.41
MET P08581 5/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FABP4 P15090 2/20 0.36
KIT P10721 2/20 0.36
FLT3 P36888 2/20 0.36
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2653865 0.88 FGFR1 (0.41) FGFR1METAURKAKDRAURKB
SCHEMBL2653352 0.84 NPC1 (0.53) AURKAKDRAURKBHPGDRAB9A
SCHEMBL2654397 0.83 FGFR1 (0.41) FGFR1MAPTHPGDMEN1KMT2A
SCHEMBL2653906 0.83 MET (0.48) FGFR1METHPGDRAB9ANPC1
SCHEMBL2653980 0.80 FGFR1 (0.45) FGFR1METMAPTHPGDMEN1
SCHEMBL2655538 0.80 MEN1 (0.46) FGFR1METKDRMAPTHPGD
SCHEMBL2655415 0.80 MET (0.45) FGFR1METGABRA1GABRG2GABRB3
SCHEMBL2655287 0.80 GRIN1 (0.40) FGFR1METMAPTHPGDRAB9A
SCHEMBL2656388 0.80 FGFR1 (0.40) FGFR1METHPGDRAB9ANPC1
SCHEMBL2654916 0.80 GABRA1 (0.49) FGFR1METAURKAKDRAURKB

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-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO disclosed