SCHEMBL28572014

SCHEMBL28572014

CCC(c1nc(N)nc(N)n1)n1c(-c2ccccc2)nc(CO)c1CO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 3/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
HTR2A P28223 4/20 0.31
HTR7 P34969 4/20 0.31
HTR6 P50406 4/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNH2 Q12809 1/20 0.31
GCGR P47871 1/20 0.30

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
SCHEMBL28566964 0.91 KCNH2 (0.36) L3MBTL1DHFRHEXAHEXBADORA1
SCHEMBL28559976 0.89 L3MBTL1 (0.36) L3MBTL1DHFRHEXAHEXBADORA1
SCHEMBL28567105 0.89 KCNH2 (0.38) DHFRHTR2AHTR7HTR6HTR1A
SCHEMBL28580564 0.88 DHFR (0.37) DHFRHTR2AHTR7HTR6HTR1A
SCHEMBL28913932 0.87 DHFR (0.39) DHFRHTR2AHTR7HTR6HTR1A
SCHEMBL28570732 0.80 KCNH2 (0.34) L3MBTL1DHFRHEXAHEXBADORA1
SCHEMBL28571424 0.78 TLR8 (0.37) DHFRHEXAHEXBHTR2AHTR7
SCHEMBL28913413 0.77 DHFR (0.38) DHFRHEXAHEXBHTR2AHTR7
SCHEMBL28566391 0.77 DHFR (0.40) DHFRHTR2AHTR7HTR6HTR1A
SCHEMBL28560946 0.71 ADORA2A (0.37) DHFRHEXAHEXBADORA1ADORA2A

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-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed