SCHEMBL28560948

SCHEMBL28560948

CCC(c1nc(N)nc(N)n1)c1[nH]c(-c2ccccc2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RPS6KA3 P51812 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
POLB P06746 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL28563229 0.90 USP2 (0.37) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL28566841 0.88 DHFR (0.37) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL28563241 0.87 DHFR (0.39) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL28569892 0.86 DHFR (0.41) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL28559985 0.76 TP53 (0.34) ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL28569803 0.75 ADORA2A (0.39) MAPK1HSD17B10KDM4EPOLBADORA3
SCHEMBL2134043 0.71 PIN1 (0.47) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL16848276 0.70 PIN1 (0.46) USP2TSHRMAPK1HSD17B10RPS6KA3
SCHEMBL8306285 0.69 MAPT (0.51) HSD17B10RPS6KA3KDM4EPI4KAPI4K2B
SCHEMBL31531718 0.68 DHFR (0.34) HSD17B10ALDH1A1MEN1KMT2AMAPT

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