SCHEMBL28566844

SCHEMBL28566844

CCCCCC(c1c[nH]c(-c2ccccc2)n1)c1nc(N)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.40
TLR8 Q9NR97 8/20 0.37
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 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
SCHEMBL28913415 0.99 DHFR (0.42) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL28560027 0.96 DHFR (0.39) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL28559979 0.92 ADORA2A (0.37) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL28569803 0.87 ADORA2A (0.39) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL28577364 0.80 CDK1 (0.33) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL28569783 0.79 CDK1 (0.35) DHFRTLR8HTR1AHTR2AHTR7
SCHEMBL31531724 0.77 CDK1 (0.34) DHFRHTR1AHTR2AHTR7HTR6
SCHEMBL28569876 0.76 DHFR (0.36) DHFRALDH1A1PDPK1CDK1
SCHEMBL28563248 0.76 DHFR (0.36) DHFRALDH1A1PDPK1CDK1
SCHEMBL28564250 0.76 DHFR (0.36) DHFRALDH1A1PDPK1CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724596-B Curable composition and cured product 盛势达技研株式会社 2025-04-18 CN disclosed
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed