SCHEMBL25791703

SCHEMBL25791703

Cc1cnn2cc(F)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
ATR Q13535 10/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
SCN5A Q14524 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
FGFR1 P11362 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
FLT3 P36888 1/20 0.31
CLK2 P49760 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
SCHEMBL15308505 0.79 PDE2A (0.41) KDRMAPTL3MBTL1FLT1FLT4
SCHEMBL14142747 0.79 KDR (0.61) KDRMAPTL3MBTL1FLT1FLT4
SCHEMBL22834525 0.76 SMPD3 (0.48) KDRATRFLT1FLT4
SCHEMBL28979830 0.76 KDR (0.33) KDRFLT1FLT4PLK4AURKA
SCHEMBL13960990 0.76 KDR (0.37) KDRMAPTL3MBTL1FLT1FLT4
Hydrochloric Acid SCHEMBL22834582 0.74 SMPD3 (0.47) KDRATRMAPTFLT1FLT4
SCHEMBL25097592 0.73 KDR (0.32) KDRFLT1FLT4SCN5A
SCHEMBL25791708 0.73 TGFBR2 (0.51) KDRFLT1FLT4IRAK4PLK4
SCHEMBL21937291 0.72 KDR (0.31) KDR
SCHEMBL24767177 0.72 KDM4E (0.43) L3MBTL1IRAK4CDK2KDM4EALDH1A1

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-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed