SCHEMBL23601919

SCHEMBL23601919

N#Cc1ncc(-c2cccc(I)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.42
APP P05067 1/20 0.41
METAP2 P50579 1/20 0.41
MAP4K4 O95819 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NTRK1 P04629 2/20 0.34
PIK3CA P42336 1/20 0.34
NEK1 Q96PY6 1/20 0.34
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 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
SCHEMBL13681264 0.79 CTSS (0.49) EGLN2METAP2MAP4K4HPGD
SCHEMBL17742851 0.77 EGLN2 (0.39) EGLN2APPMETAP2MAP4K4ALDH1A1
SCHEMBL1509663 0.77 RAB9A (0.54) EGLN2ALDH1A1TDP1NPSR1KDM4E
SCHEMBL23601920 0.76 MAP4K4 (0.66) APPMETAP2MAP4K4CHRNB4CHRNA3
SCHEMBL24721275 0.75 IDO1 (0.45) EGLN2MAP4K4ALDH1A1TDP1NPSR1
SCHEMBL6241000 0.75 CTSS (0.54) ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL9020421 0.74 EGLN2 (0.44) EGLN2MAP4K4ALDH1A1TDP1NPSR1
SCHEMBL24648525 0.73 CLK4 (0.53) EGLN2MAP4K4CLK4GABRG2GABRB3
SCHEMBL6561405 0.73 METAP2 (0.50) APPMETAP2CHRNB4CHRNA3CYP1A2
SCHEMBL18874389 0.72 CLK4 (0.43) METAP2MAP4K4CHRNB4CHRNA3CLK4

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed