SCHEMBL30718243

SCHEMBL30718243

c1ccc2ncc(-c3cc(N4CCOCC4)nc(N4CCNCC4)n3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MAP3K12 Q12852 1/20 0.57
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ATR Q13535 2/20 0.48
ATRIP Q8WXE1 2/20 0.48
PIK3CB P42338 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTT P42858 1/20 0.46
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL27029526 1.00 PIK3CA (0.57) PIK3CAMAP3K12MAPTTSHRMAPK1
SCHEMBL27062781 0.89 CHRNB2 (0.52) PIK3CAMAP3K12MAPTTSHRMAPK1
SCHEMBL30718212 0.81 CHRNB2 (0.51) PIK3CAMAPK1HSD17B10CHRNB2CHRNA4
SCHEMBL27029561 0.81 CHRNB2 (0.51) PIK3CAMAPK1HSD17B10CHRNB2CHRNA4
SCHEMBL10327965 0.80 PIK3CA (0.74) PIK3CAMAP3K12PIK3CB
SCHEMBL30718239 0.78 CHRNB2 (0.53) PIK3CAPIK3CBCHRNB2CHRNA4
SCHEMBL27029440 0.78 CHRNB2 (0.53) PIK3CAPIK3CBCHRNB2CHRNA4
SCHEMBL27029450 0.78 CYP1A2 (0.55) PIK3CAMAPTTSHRMAPK1HSD17B10
SCHEMBL30718177 0.78 CYP1A2 (0.55) PIK3CAMAPTTSHRMAPK1HSD17B10
SCHEMBL29931687 0.78 CHRNB2 (0.48) PIK3CAMAPTTSHRCHRNB2CHRNA4

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-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 CN disclosed