SCHEMBL30452215

SCHEMBL30452215

Nc1nc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.59
ERN1 O75460 1/20 0.55
JAK2 O60674 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
PRKCG P05129 1/20 0.55
CDK1 P06493 1/20 0.55
FES P07332 1/20 0.55
RET P07949 1/20 0.55
ROS1 P08922 1/20 0.55
FER P16591 1/20 0.55
FLT1 P17948 1/20 0.55
AXL P30530 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
MAPK9 P45984 1/20 0.55
IRAK1 P51617 1/20 0.55
LIMK1 P53667 1/20 0.55
MAP4K2 Q12851 1/20 0.55

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
SCHEMBL29032775 1.00 CFD (0.59) CFDERN1JAK2MAP4K4CHEK2
SCHEMBL29032785 0.94 CFD (0.53) CFDERN1JAK2MAP4K4CHEK2
SCHEMBL29032791 0.91 USP30 (0.58) MAP4K4PRKCGROCK1PKN2MAP4K5
SCHEMBL30452219 0.91 USP30 (0.58) MAP4K4PRKCGROCK1PKN2MAP4K5
SCHEMBL30450735 0.91 MMP2 (0.52) CFDERN1JAK2MAP4K4CHEK2
SCHEMBL29032725 0.91 MMP2 (0.52) CFDERN1JAK2MAP4K4CHEK2
SCHEMBL29032784 0.85 NAMPT (0.56) ABL1FABP6SMN1; SMN2
SCHEMBL30451056 0.85 NAMPT (0.56) ABL1FABP6SMN1; SMN2
SCHEMBL29032783 0.85 ABL1 (0.56) CFDERN1JAK2MAP4K4CHEK2
SCHEMBL30451514 0.85 ABL1 (0.56) CFDERN1JAK2MAP4K4CHEK2

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-116253686-B Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-11-17 CN disclosed
CN-116253686-A Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-13 CN disclosed