SCHEMBL30455490

SCHEMBL30455490

CC(Nc1cccc2c1[nH]c1ccc(-c3ccc4c(c3)C(=O)NC4)cc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
NTRK2 Q16620 2/20 0.51
TYRO3 Q06418 1/20 0.51
FYN P06241 1/20 0.45
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
MET P08581 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MST1R Q04912 1/20 0.42
NTRK3 Q16288 1/20 0.42
CAMK1D Q8IU85 1/20 0.42
EGFR P00533 3/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL25246903 1.00 CLK4 (0.51) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL25253418 0.92 TARS1 (0.42) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL30455449 0.92 TARS1 (0.42) CLK4DYRK1BNTRK2TYRO3FYN
SCHEMBL30455485 0.91 PARP10 (0.42) CLK4DYRK1BNTRK2TYRO3EGFR
SCHEMBL25245298 0.91 PARP10 (0.42) CLK4DYRK1BNTRK2TYRO3EGFR
SCHEMBL25248465 0.85 PARP11 (0.53) GSK3BEGFRPIM1PIM2
SCHEMBL30455553 0.85 PARP11 (0.53) GSK3BEGFRPIM1PIM2
SCHEMBL25249612 0.85 SDCBP (0.41) EGFRMEN1KMT2APLA2G7KDM4E
SCHEMBL30455455 0.85 SDCBP (0.41) EGFRMEN1KMT2APLA2G7KDM4E
SCHEMBL25247709 0.84 ROCK2 (0.34) CLK4DYRK1BNTRK2TYRO3NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO claimed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed