SCHEMBL29373901

SCHEMBL29373901

Cc1cccnc1NC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 6/20 0.62
GSK3A P49840 3/20 0.62
MAPK10 P53779 3/20 0.62
MAPK8 P45983 1/20 0.62
HIPK1 Q86Z02 1/20 0.62
SNRK Q9NRH2 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HDAC3 O15379 2/20 0.52
ANO1 Q5XXA6 1/20 0.52
NLRP3 Q96P20 1/20 0.51

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
SCHEMBL28692611 1.00 RIOK2 (0.62) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL26158313 0.79 RIOK2 (0.54) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL29124508 0.77 RAB9A (0.63) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL30594478 0.77 RAB9A (0.63) L3MBTL1KMT2AMEN1KDM4EALDH1A1
SCHEMBL28692610 0.77 ALDH1A1 (0.62) MAPK10MAPK8L3MBTL1KMT2AMEN1
SCHEMBL13067797 0.75 RIOK2 (0.54) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL27907868 0.75 KMT2A (0.55) L3MBTL1KMT2AMEN1KDM4EANO1
SCHEMBL30071338 0.74 RAB9A (0.59) L3MBTL1KMT2AMEN1KDM4E
SCHEMBL2038480 0.74 L3MBTL1 (0.76) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL4572346 0.74 RAB9A (0.59) L3MBTL1KMT2AMEN1KDM4E

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
CN-114014803-A Method for synthesizing urea compound by amidation reaction of amide and amine at room temperature 内蒙古师范大学 2022-02-08 CN disclosed