SCHEMBL29335088

SCHEMBL29335088

COC(=O)c1conc1-c1cccnc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ BDKRB1 P46663 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL1807364 0.78 NAPRT (0.61) NAPRTMAP2K1KDM4ETDP1SLC6A4
SCHEMBL21290415 0.75 PDK2 (0.42) NAPRTMAP2K1KDM4ETDP1SLC6A4
SCHEMBL29335092 0.74 CYP19A1 (0.38) NAPRTTDP1TDP2L3MBTL1PKM
SCHEMBL6771957 0.73 LMNA (0.55) SLC6A4SLC6A3L3MBTL1PKMALDH1A1
SCHEMBL2929763 0.73 PTGS1 (0.54) KDM4EL3MBTL1ALDH1A1HPGDPOLB
SCHEMBL29335090 0.71 NAPRT (0.37) NAPRTKDM4EL3MBTL1ALDH1A1
SCHEMBL4010764 0.71 NR4A2 (0.42) KDM4EL3MBTL1ALDH1A1POLBCFTR
SCHEMBL4369919 0.69 PTPN1 (0.51) KDM4ESLC6A4SLC6A3GPBAR1ALDH1A1
SCHEMBL4022319 0.69 ALDH1A1 (0.52) KDM4ETDP1L3MBTL1PKMALDH1A1
SCHEMBL20028523 0.68 JAK2 (0.54) KDM4ETDP1L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649077-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF Cerevel Therapeutics, LLC (US) 2025-11-19 — — EP disclosed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 — — WO disclosed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 — — WO disclosed
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