SCHEMBL29060874

SCHEMBL29060874

CCCc1nc(CCC)c2[nH]c(N)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.40
▸ BACE1 P56817 1/20 0.37
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL10551247 0.79 PNP (0.42) PNP
SCHEMBL1808631 0.70 ADORA3 (0.34) —
SCHEMBL27734016 0.68 ADORA3 (0.35) —
SCHEMBL64349 0.66 MAPK1 (0.43) POLBHRH4MAPK1RECQL
SCHEMBL667795 0.64 PNP (0.61) PNP
SCHEMBL27464852 0.63 KDM4E (0.42) POLBHRH4MAPK1RECQL
SCHEMBL16575386 0.62 KDM4E (0.41) POLBGAAHRH4MAPK1RECQL
SCHEMBL11811150 0.62 HRH4 (0.38) POLBGAAHRH4RECQL
SCHEMBL27857430 0.61 CASP1 (0.55) BACE1HRH4
SCHEMBL671139 0.61 CASP1 (0.62) HRH4

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
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