SCHEMBL2658684

SCHEMBL2658684

COc1c(F)cc(F)cc1-c1cc(-n2cnc3cc([C@@H](C)N)ccc32)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 4/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIK1 P57059 2/20 0.36
SIK2 Q9H0K1 2/20 0.36
SIK3 Q9Y2K2 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2656812 0.88 FGFR1 (0.39) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1616796 0.87 CTSA (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1616805 0.87 CTSA (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2658314 0.86 SIK1 (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2657689 0.86 SIK1 (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2659305 0.82 GABRA1 (0.48) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2658067 0.82 GABRA1 (0.48) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2656109 0.80 FGFR1 (0.38) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2657582 0.79 THRB (0.39) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2659103 0.79 FGFR1 (0.43) FGFR1ALDH1A1HPGDTHRBCYP1A2

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-2010055125-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed