SCHEMBL30106040

SCHEMBL30106040

C[C@H]1CCN(c2ccccc2C(N)=O)c2cc3cc[nH]c3nc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ JAK2 O60674 5/20 0.34
▸ JAK3 P52333 5/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ PARP1 P09874 4/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 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
SCHEMBL30075002 1.00 PRKCA (0.37) PRKCAPRKCQSCN9ANPC1JAK2
SCHEMBL30106037 1.00 PRKCA (0.37) PRKCAPRKCQSCN9ANPC1JAK2
SCHEMBL30074993 0.91 GAA (0.34) PRKCAPRKCQALOX5APFEN1
SCHEMBL29722758 0.90 PRKCA (0.35) PRKCAPRKCQSCN9ANPC1PARP1
SCHEMBL21751548 0.90 PRKCA (0.35) PRKCAPRKCQSCN9ANPC1PARP1
SCHEMBL30075016 0.90 PRKCA (0.35) PRKCAPRKCQSCN9ANPC1PARP1
SCHEMBL30104711 0.87 SCN9A (0.34) SCN9ANPC1JAK2JAK3JAK1
SCHEMBL30073537 0.87 SCN9A (0.34) SCN9ANPC1JAK2JAK3JAK1
SCHEMBL30104739 0.87 SCN9A (0.34) SCN9ANPC1JAK2JAK3JAK1
SCHEMBL21751582 0.83 SCN9A (0.45) SCN9ANPC1JAK2JAK3JAK1

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
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP disclosed
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