SCHEMBL30910243

SCHEMBL30910243

CN1CCC(n2cc3cn[nH]c(=O)c3cc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.40
▸ POLB P06746 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ MTOR P42345 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PRKCG P05129 2/20 0.34
▸ PRKCB P05771 2/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ PRKCH P24723 2/20 0.34
▸ PRKCE Q02156 2/20 0.34
▸ PRKCZ Q05513 2/20 0.34
▸ PRKCD Q05655 2/20 0.34
▸ CAMK2B Q13554 2/20 0.34
▸ CAMK2G Q13555 2/20 0.34

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
SCHEMBL29986277 0.84 ALDH1A1 (0.36) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL30910230 0.83 MAP4K1 (0.38) MAP4K1MTORPIK3CAALDH1A1PARP1
SCHEMBL30544673 0.70 POLB (0.38) POLBMTORPIK3CAALDH1A1PARP1
SCHEMBL30739060 0.68 GAA (0.36) MAP4K1TLR8CDC7BMPR1BBMPR1A
SCHEMBL30910201 0.68 ALDH1A1 (0.38) MTORALDH1A1PARP1PRKCIPDE4B
SCHEMBL31339600 0.66 MAP4K1 (0.38) MAP4K1TOP2ATOP2B
SCHEMBL30544688 0.66 PARP1 (0.34) POLBMTORPIK3CAALDH1A1PARP1
SCHEMBL30972386 0.64 PRKCG (0.36) MAP4K1PRKCGPRKCBPRKCAPRKCH
SCHEMBL29985240 0.64 MAP4K1 (0.37) MAP4K1MTORPIK3CATOP2ATOP2B
SCHEMBL30544687 0.64 POLB (0.49) POLBALDH1A1PARP1PRKCIPDE4B

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-117715642-A Heterocyclic compounds and methods of use 薛定谔公司 2024-03-15 — — CN disclosed
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