SCHEMBL28569783

SCHEMBL28569783

CCCCCCC(c1c[nH]c(C)n1)c1nc(N)nc(N)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
DHFR P00374 1/20 0.33
PIN1 Q13526 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL28577364 0.99 CDK1 (0.33) CDK1CCNB1HTR1AHTR2AHTR7
SCHEMBL28564371 0.94 HTR7 (0.36) CDK1CCNB1HTR1AHTR2AHTR7
SCHEMBL28563332 0.90 HTR2A (0.33) HTR1AHTR2AHTR7HTR6
SCHEMBL31531724 0.84 CDK1 (0.34) CDK1CCNB1HTR1AHTR2AHTR7
SCHEMBL28569876 0.83 DHFR (0.36) CDK1CCNB1DHFR
SCHEMBL28564259 0.83 DHFR (0.36) CDK1CCNB1DHFR
SCHEMBL28564250 0.83 DHFR (0.36) CDK1CCNB1DHFR
SCHEMBL28563248 0.83 DHFR (0.36) CDK1CCNB1DHFR
SCHEMBL28563812 0.83 HTR2A (0.32) CDK1CCNB1HTR1AHTR2AHTR7
SCHEMBL28566396 0.81 DHFR (0.36) CDK1CCNB1DHFR

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