SCHEMBL6674881

SCHEMBL6674881

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2c(nc3c(C)ccnc32)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.37
HTR1D P28221 2/20 0.37
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
MAPK8 P45983 2/20 0.37
BTK Q06187 2/20 0.37
MRGPRX2 Q96LB1 2/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA1B P35368 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM1A O60341 5/20 0.36
EGLN2 Q96KS0 1/20 0.35
MAP4K4 O95819 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6311156 0.87 HSD17B10 (0.38) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL6318849 0.83 CASP1 (0.38) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL5440186 0.82 KDM1A (0.44) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL6392201 0.81 MAPK8 (0.40) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL6312402 0.80 ALDH1A1 (0.37) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL6311058 0.80 HRH3 (0.36) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL5446972 0.78 MAPK8 (0.42) HTR3AHTR1DHTR6TMEM97MAPK8
SCHEMBL5458304 0.78 MAPK8 (0.44) HTR3AHTR1DHTR6TMEM97MAPK8
Formic Acid SCHEMBL6310674 0.78 ALDH1A1 (0.46) MEN1ALDH1A1LMNAKMT2ACYP2C9
SCHEMBL5442797 0.78 MAPK8 (0.43) HTR3AHTR1DHTR6TMEM97MAPK8

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
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed