SCHEMBL30468529

SCHEMBL30468529

O=C1N(Br)c2cccnc2C12CCOCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.36
▸ CALCRL Q16602 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ VNN1 O95497 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ GSK3B P49841 4/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ALDH3A1 P30838 1/20 0.31
▸ BTD P43251 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL1234120 0.88 EGLN1 (0.39) PRKDCEGLN1IDO1SMN1; SMN2
SCHEMBL30988531 0.77 CALCRL (0.38) PRKDCEGLN1CALCRLL3MBTL1VNN1
SCHEMBL31368769 0.75 PRKDC (0.39) PRKDCEGLN1CALCRLALDH1A1SMN1; SMN2
SCHEMBL30276209 0.71 PRKDC (0.43) PRKDCEGLN1L3MBTL1ALDH1A1GAA
SCHEMBL30496839 0.71 EGLN1 (0.42) PRKDCEGLN1IDO1
SCHEMBL30276171 0.70 PRKDC (0.43) PRKDCEGLN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL31369000 0.70 EGLN1 (0.41) PRKDCEGLN1SMN1; SMN2
SCHEMBL30276207 0.70 PRKDC (0.43) PRKDCEGLN1L3MBTL1ALDH1A1
SCHEMBL30276155 0.69 PRKDC (0.42) PRKDCEGLN1ALDH1A1SMN1; SMN2
SCHEMBL38662097 0.64 SLC6A4 (0.44) EGLN1ALDH1A1SMN1; SMN2

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
CN-113227089-B Substituted 6-azabenzimidazole compounds as HPK1 inhibitors 吉利德科学公司 2024-07-05 — — CN disclosed
CN-116731016-A Tricyclic heterocyclic compounds as IAP antagonists 苏州亚盛药业有限公司 2023-09-12 — — CN disclosed
CN-110769821-B Spiro indolines as IL-17 modulators UCB生物制药有限责任公司 2023-07-07 — — CN disclosed
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