SCHEMBL28637477

SCHEMBL28637477

Nc1nc(-c2ccccc2)nc2nccnc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.53
ADORA1 P30542 9/20 0.50
ADORA3 P0DMS8 7/20 0.50
ADORA2B P29275 2/20 0.47
POLB P06746 1/20 0.47
DPP4 P27487 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ADK P55263 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
DHFR P00374 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14344519 0.79 ABCG2 (0.43) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL28873874 0.79 ABCG2 (0.42) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL2213565 0.79 KMT2A (0.52) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL10783317 0.79 LMNA (0.47) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL30518206 0.79 KMT2A (0.52) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL10788916 0.79 ABCG2 (0.42) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL3866361 0.77 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL10783436 0.75 MAPT (0.43) ADORA2AADORA1ADORA3POLBKMT2A
SCHEMBL8914925 0.75 ABCG2 (0.39) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL10785767 0.72 KMT2A (0.52) POLBKMT2AMEN1HTTHSD17B10

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-113410451-B Lithium metal negative electrode flexible protection material and preparation method thereof 宁波大学 2022-04-05 CN claimed
CN-113410451-A Lithium metal negative electrode flexible protection material and preparation method thereof 宁波大学 2021-09-17 CN claimed
CN-113410451-B Lithium metal negative electrode flexible protection material and preparation method thereof 宁波大学 2022-04-05 CN disclosed
CN-113410451-A Lithium metal negative electrode flexible protection material and preparation method thereof 宁波大学 2021-09-17 CN disclosed