SCHEMBL29060929

SCHEMBL29060929

Nc1nc2nc(Cl)nc(Cc3ccco3)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.55
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.35
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
LTB4R Q15722 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL29060896 0.86 PNP (0.57) PNPADORA2AADORA2BLTB4RADORA3
SCHEMBL29060938 0.84 PNP (0.55) PNPSMN1; SMN2KMT2AADORA2AADORA2B
SCHEMBL29060904 0.84 PNP (0.55) PNPSMN1; SMN2KMT2AADORA2AADORA2B
SCHEMBL29060886 0.84 PNP (0.55) PNPSMN1; SMN2KMT2AADORA2AADORA2B
SCHEMBL29060919 0.84 PNP (0.55) PNPADORA2AADORA2BLTB4RADORA3
SCHEMBL29060909 0.84 PNP (0.55) PNPSMN1; SMN2KMT2AADORA2AADORA2B
SCHEMBL29060931 0.84 PNP (0.55) PNPADORA2AADORA2BLTB4RADORA3
SCHEMBL29060889 0.82 PNP (0.53) PNPADORA2AADORA2BLTB4RADORA3
SCHEMBL29060887 0.80 PNP (0.54) PNPADORA2AADORA2BLTB4R
SCHEMBL29060910 0.80 PNP (0.51) PNPSMN1; SMN2KMT2AADORA2AADORA2B

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-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed