SCHEMBL20033344

SCHEMBL20033344

Cc1cnc2c(c1)c1cc(-c3ccccc3)ccc1n2I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
PSMB5 P28074 1/20 0.38
FLT3 P36888 1/20 0.37
TSPO P30536 1/20 0.36
NPY5R Q15761 1/20 0.34
PLAU P00749 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PTGES2 Q9H7Z7 3/20 0.34
PTGES O14684 1/20 0.34
PIK3CD O00329 1/20 0.34
NR4A2 P43354 2/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MAP4K4 O95819 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
SCHEMBL19820255 0.89 GSK3B (0.45) GSK3BPSMB5FLT3DYRK1ADYRK1B
SCHEMBL16625730 0.83 TSPO (0.44) GSK3BPSMB5FLT3TSPONPY5R
SCHEMBL19820254 0.81 NR4A2 (0.41) FLT3TSPONR4A2NLRP3
SCHEMBL19820258 0.77 TSPO (0.38) GSK3BPSMB5FLT3TSPODYRK1A
SCHEMBL19558980 0.77 TSPO (0.41) TSPONR4A2GAAMAP4K4
SCHEMBL16625731 0.74 PGR (0.44) GSK3BPSMB5TSPONPY5RNLRP3
SCHEMBL21129967 0.74 TSPO (0.39) FLT3TSPONPY5RNR4A2L3MBTL1
SCHEMBL22784460 0.72 TSPO (0.48) TSPONPY5RNR4A2L3MBTL1
SCHEMBL24315418 0.71 TSPO (0.42) TSPONPY5RNR4A2GAAL3MBTL1
SCHEMBL25882895 0.71 TSPO (0.40) TSPONR4A2MAP4K4

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
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed