SCHEMBL31329862

SCHEMBL31329862

Cc1nc(Br)c(Cl)n2ncnc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN2 Q96KS0 2/20 0.32
ENPP1 P22413 2/20 0.31

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
SCHEMBL31329941 0.71 EGLN2 (0.35) ALDH1A1HRH4HRH3KDM4EEGLN2
SCHEMBL24284142 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EEGLN2ENPP1
SCHEMBL24386972 0.68 ALDH1A1 (0.36) ALDH1A1KDM4EEGLN2ENPP1
SCHEMBL7117782 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EENPP1
SCHEMBL31329880 0.67 CHEK1 (0.33) EGLN2
SCHEMBL24284140 0.67 MBOAT4 (0.36) ALDH1A1EGLN2ENPP1
SCHEMBL23030186 0.64 EGLN2 (0.34) ALDH1A1EGLN2
SCHEMBL23029982 0.64 EGLN2 (0.47) ALDH1A1HRH4HRH3KDM4EEGLN2
SCHEMBL24393047 0.64 ALDH1A1 (0.32) ALDH1A1KDM4EEGLN2ENPP1
SCHEMBL6116929 0.63 ALDH1A1 (0.38) ALDH1A1EGLN2

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
WO-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed