SCHEMBL31329908

SCHEMBL31329908

Clc1ncc(Br)n2ncnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 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
SCHEMBL275109 0.79 XDH (0.32) XDH
SCHEMBL31329798 0.76 ALDH1A1 (0.36) HRH4HRH3CHEK1AURKADAPK3
SCHEMBL10149677 0.72 PI4KA (0.35) MAP4K4ABL1KDR
SCHEMBL25346697 0.67 DGAT1 (0.32) HRH4
SCHEMBL15410163 0.67
SCHEMBL12269770 0.66 NSD2 (0.49) HRH4HRH3
SCHEMBL31329960 0.64 GRIN2D (0.33)
SCHEMBL31329880 0.63 CHEK1 (0.33) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL31330003 0.63 HTT (0.33) HRH4HRH3
SCHEMBL2179132 0.63 IKBKB (0.34)

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