SCHEMBL31339147

SCHEMBL31339147

Cn1cnc2nc(Cl)nc(N3CCOCC3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.48
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
MAPK1 P28482 1/20 0.38
PAK1 Q13153 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADK P55263 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 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
SCHEMBL1609125 1.00 MTOR (0.48) MTORPIK3CAPIK3CDSMN1; SMN2CHEK1
SCHEMBL1608915 0.95 MTOR (0.52) MTORPIK3CAPIK3CDSMN1; SMN2CHEK1
SCHEMBL25534545 0.87 ALDH1A1 (0.44) MTORPIK3CAPIK3CDSMN1; SMN2MAPK1
SCHEMBL17589999 0.83 SMN1; SMN2 (0.42) MTORPIK3CAPIK3CDSMN1; SMN2MAPK1
SCHEMBL23287625 0.80 SMN1; SMN2 (0.39) MTORSMN1; SMN2CHEK1PDPK1MAPK1
SCHEMBL1609664 0.79 MTOR (0.53) MTORPIK3CAPIK3CDCHEK1
SCHEMBL1608742 0.79 MTOR (0.53) MTORPIK3CAPIK3CDCHEK1
SCHEMBL1608745 0.79 MTOR (0.53) MTORPIK3CAPIK3CDCHEK1
SCHEMBL30366120 0.77 PIK3CA (0.60) MTORPIK3CASMN1; SMN2POLBTSHR
SCHEMBL358366 0.77 PIK3CA (0.60) MTORPIK3CASMN1; SMN2POLBTSHR

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-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed