SCHEMBL29891695

SCHEMBL29891695

Cn1c(=O)c(C#N)c(Cl)c2cccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PKLR P30613 1/20 0.34
▸ LMNA P02545 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
SCHEMBL23410172 1.00 ALDH1A1 (0.41) ALDH1A1JAK2BTKKCNJ5KCNJ3
SCHEMBL23410196 0.85 PSMB8 (0.43) ALDH1A1KCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL29891599 0.85 PSMB8 (0.43) ALDH1A1KCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23410174 0.83 ALDH1A1 (0.37) ALDH1A1JAK2BTKKCNJ5KCNJ3
SCHEMBL23410244 0.83 JAK2 (0.42) ALDH1A1JAK2BTKKDM4EEGFR
SCHEMBL569008 0.76 EGFR (0.55) ALDH1A1KDM4EEGFRSRCKMT2A
SCHEMBL29891965 0.76 EGFR (0.55) ALDH1A1KDM4EEGFRSRCKMT2A
SCHEMBL25349889 0.74 BCL6 (0.42) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL23410154 0.71 KCNJ5 (0.48) ALDH1A1KCNJ5KCNJ3KCNQ1CACNA1C
SCHEMBL23410236 0.71 KDM4E (0.42) ALDH1A1KCNJ5KCNJ3KCNQ1CACNA1C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119564686-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-03-07 — — CN disclosed
CN-119523983-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-28 — — CN disclosed
CN-119424429-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-14 — — CN disclosed
CN-115003665-B DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2024-11-08 — — CN disclosed
CN-115003665-A Substituted aminoquinolones as immunoactive DGK alpha inhibitors 拜耳公司 2022-09-02 — — CN disclosed
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