SCHEMBL30304500

SCHEMBL30304500

O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(CO)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.72
ALK Q9UM73 17/20 0.70
INSR P06213 16/20 0.70
IGF1R P08069 11/20 0.70
AURKA O14965 3/20 0.70
AURKB Q96GD4 3/20 0.70
PLK4 O00444 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKCG P05129 1/20 0.54
ROS1 P08922 1/20 0.54
FER P16591 1/20 0.54
LTK P29376 1/20 0.54
WEE1 P30291 1/20 0.54
FRK P42685 1/20 0.54
MAPK8 P45983 1/20 0.54
MST1R Q04912 1/20 0.54
PTK2 Q05397 1/20 0.54
TNK2 Q07912 1/20 0.54
NTRK3 Q16288 1/20 0.54
DYRK1B Q9Y463 1/20 0.54

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
SCHEMBL30304319 0.92 NTRK1 (0.69) NTRK1ALKINSRIGF1RAURKA
SCHEMBL3512908 0.91 NTRK1 (0.72) NTRK1ALKINSRIGF1RAURKA
SCHEMBL30304596 0.90 NTRK1 (0.71) NTRK1ALKINSRIGF1RAURKA
SCHEMBL30304737 0.89 NTRK1 (0.68) NTRK1ALKINSRIGF1RAURKA
SCHEMBL3511638 0.89 ALK (0.69) NTRK1ALKINSRIGF1RAURKA
SCHEMBL30304648 0.89 NTRK1 (0.68) NTRK1ALKINSRIGF1RAURKA
SCHEMBL30304401 0.87 ALK (0.67) NTRK1ALKINSRIGF1RAURKA
SCHEMBL25401224 0.83 ALK (0.82) NTRK1ALKINSRIGF1RAURKA
SCHEMBL3511212 0.83 ALK (1.00) NTRK1ALKINSRIGF1RAURKA
SCHEMBL28917625 0.83 INSR (0.68) NTRK1ALKINSRIGF1RAURKA

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-2023055952-A1 NEUROTROPHIC TYROSINE RECEPTOR KINASE (NTRK) DEGRADING COMPOUNDS C4 THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed