SCHEMBL25257828

SCHEMBL25257828

CCCCc1nc2c(NC(C)(C)C)nc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)sc3c2n1CC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.39
TLR7 Q9NYK1 4/20 0.38
TLR8 Q9NR97 1/20 0.34
JAK1 P23458 1/20 0.34
TNK2 Q07912 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GRM1 Q13255 1/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
PDK4 Q16654 1/20 0.31
SCN9A Q15858 1/20 0.31
CDK7 P50613 1/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL31025946 1.00 KIT (0.39) KITTLR7TLR8JAK1TNK2
SCHEMBL31270874 0.90 KIT (0.36) KITJAK1GPR119
SCHEMBL25819223 0.90 KIT (0.36) KITJAK1GPR119
SCHEMBL31270679 0.90 KIT (0.37) KITTLR7JAK1TNK2GRM1
SCHEMBL25301919 0.90 KIT (0.37) KITTLR7JAK1TNK2GRM1
SCHEMBL31270806 0.89 GPR119 (0.34) KITTLR7TLR8TBK1GPR119
SCHEMBL25256681 0.89 GPR119 (0.34) KITTLR7TLR8TBK1GPR119
SCHEMBL25294635 0.88 TLR7 (0.41) TLR7TLR8
SCHEMBL31270695 0.87 KIT (0.38) KITTLR7GPR119
SCHEMBL25296097 0.87 TLR7 (0.40) TLR7TLR8EEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118829451-A Antibody drug conjugate, pharmaceutical composition and application thereof 四川科伦博泰生物医药股份有限公司 2024-10-22 CN disclosed
WO-2023207710-A9 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-25 WO disclosed
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