SCHEMBL29089042

SCHEMBL29089042

O=CC1c2ccccc2C=NN1c1ccc(Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL28766401 0.88 ALDH1A1 (0.36) KDM4ERECQLALDH1A1
SCHEMBL28766378 0.87 KDM4E (0.35) KDM4ERECQLALDH1A1EGFRERBB2
SCHEMBL29089072 0.87 KDM4E (0.33) KDM4ERECQLALDH1A1
SCHEMBL28766421 0.86 ALDH1A1 (0.33) KDM4ERECQLALDH1A1EGFRERBB2
SCHEMBL28766416 0.74 PRKCZ (0.34) KDM4EALDH1A1GAA
SCHEMBL28182028 0.72 MAPT (0.33) KDM4ERECQLALDH1A1
SCHEMBL29089070 0.69 PSEN1 (0.32) KDM4ERECQL
SCHEMBL27696136 0.68 EGFR (0.35) KDM4EALDH1A1EGFRERBB2GAA
SCHEMBL27696148 0.67 PTGS2 (0.32) KDM4EALDH1A1
SCHEMBL27696135 0.65 LMNA (0.36) KDM4EALDH1A1

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-114560814-B Synthesis method of substituted 2, 3-naphthyridine ketone compound 天津理工大学 2023-10-20 — — CN disclosed
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