SCHEMBL30725934

SCHEMBL30725934

[Te].c1ccc2c(c1)nn1cccnc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
PIK3CG P48736 3/20 0.40
HTR6 P50406 2/20 0.39
JAK1 P23458 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
SMPD3 Q9NY59 2/20 0.38
AXL P30530 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CDK2 P24941 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL15388136 0.98 BMP4 (0.50) BMP4MAOBMAOAPIK3CGHTR6
SCHEMBL30198588 0.71 MAOA (0.42) MAOBMAOAKDM4ETSHRHSD17B10
SCHEMBL28522819 0.69 PDE10A (0.42) MAOBMAOAKDM4ETSHRHSD17B10
SCHEMBL51669 0.68 KDM4E (0.41) MAOBKDM4ETSHRHSD17B10NPC1
SCHEMBL4760420 0.68 HTT (0.56) BMP4MAOBHSD17B10CDK2L3MBTL1
SCHEMBL28886754 0.67 KDM4E (0.49) KDM4EPDE10ANPC1RAB9A
SCHEMBL12145636 0.67 SMN1; SMN2 (0.44) PIK3CGKDM4ETSHRHSD17B10PDE10A
SCHEMBL12145626 0.64 TSHR (0.47) KDM4ETSHRHSD17B10PDE10ACDK2
SCHEMBL17736144 0.64 PTGS2 (0.58) HTR6KDM4ECDK2NPC1RAB9A
SCHEMBL12759645 0.64 PDE3B (0.49) BMP4KDM4ETSHRPDE10ACDK2

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-117418243-B Method for synthesizing selenized pyrimido [1,2-b ] indazole derivative based on electrochemical method and application 上海陶术生物科技有限公司 2024-09-24 CN disclosed
CN-117418243-A Method for synthesizing selenized pyrimido [1,2-b ] indazole derivative based on electrochemical method and application 上海陶术生物科技有限公司 2024-01-19 CN disclosed