SCHEMBL31329962

SCHEMBL31329962

Clc1ncc2[nH]cnc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK2A1 P68400 2/20 0.41
DYRK1A Q13627 2/20 0.41
CSNK2A2 P19784 1/20 0.41
RAB9A P51151 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PRNP P04156 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM1 Q13255 1/20 0.35
MMP12 P39900 1/20 0.32
PNP P00491 1/20 0.31
AURKA O14965 1/20 0.30
DAPK3 O43293 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
SCHEMBL376876 0.73 HPGD (0.41) KDM4EMEN1KMT2ACSNK2A1DYRK1A
SCHEMBL31135882 0.68 CSNK2A1 (0.45) MEN1KMT2ACSNK2A1DYRK1ACSNK2A2
SCHEMBL20399971 0.68 CSNK2A1 (0.45) MEN1KMT2ACSNK2A1DYRK1ACSNK2A2
SCHEMBL16475165 0.68 CSNK2A1 (0.45) MEN1KMT2ACSNK2A1DYRK1ACSNK2A2
SCHEMBL30206320 0.67 MEN1 (0.43) KDM4EMEN1KMT2ACSNK2A1DYRK1A
SCHEMBL22533554 0.67 KDM4E (0.39) KDM4EMEN1KMT2ACSNK2A1DYRK1A
SCHEMBL13765863 0.67 MEN1 (0.43) KDM4EMEN1KMT2ACSNK2A1DYRK1A
SCHEMBL22576013 0.67 AHR (0.38) CSNK2A1DYRK1AALDH1A1IGF1RDYRK1B
SCHEMBL30026260 0.67 MEN1 (0.43) KDM4EMEN1KMT2ACSNK2A1DYRK1A
SCHEMBL16094994 0.67 MEN1 (0.43) KDM4EMEN1KMT2ACSNK2A1DYRK1A

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