SCHEMBL25256345

SCHEMBL25256345

CCCCc1nc2c(NC(C)(C)C)nc3cc(C4CCNCC4)sc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.36
RORC P51449 1/20 0.34
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 2/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.32
GPR119 Q8TDV5 2/20 0.32

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
SCHEMBL31270667 1.00 GLS (0.36) GLSRORCLMNAMEN1KMT2A
SCHEMBL25256981 0.93 GLS (0.37) GLSRORCLMNATHRBMAPT
SCHEMBL31270541 0.93 GLS (0.37) GLSRORCLMNATHRBMAPT
SCHEMBL31270666 0.92 TLR7 (0.38) GLSRORCLMNAMEN1KMT2A
SCHEMBL25257815 0.92 TLR7 (0.38) GLSRORCLMNAMEN1KMT2A
SCHEMBL31270616 0.92 TLR7 (0.34)
SCHEMBL29263615 0.92 TLR7 (0.34)
SCHEMBL25296097 0.91 TLR7 (0.40) GLSRORCLMNAMEN1KMT2A
SCHEMBL31025940 0.91 TLR7 (0.40) GLSRORCLMNAMEN1KMT2A
SCHEMBL25258659 0.89 LMNA (0.39) GLSLMNATHRBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201933-A Tri-fused ring compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-06-14 CN disclosed
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed