SCHEMBL28569803

SCHEMBL28569803

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
POLB P06746 1/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 2/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
PDPK1 O15530 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 4/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 4/20 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
SCHEMBL28559979 0.92 ADORA2A (0.37) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL28560027 0.88 DHFR (0.39) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL28566844 0.87 DHFR (0.40) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL28913415 0.85 DHFR (0.42) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL10529535 0.79 ADORA3 (0.37) ADORA2AADORA1ADORA3ALDH1A1KDM4E
SCHEMBL28563812 0.77 HTR2A (0.32) HTR2AHTR7HTR6HTR1ADRD2
SCHEMBL28560948 0.75 USP2 (0.38) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL10364021 0.73 KDM4E (0.38) POLBALDH1A1KDM4EMEN1CYP1A2
SCHEMBL4119540 0.73 KDM4E (0.40) POLBALDH1A1KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL10366283 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1CYP1A2KMT2A

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