SCHEMBL30304583

SCHEMBL30304583

O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(Br)cc1NC1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 18/20 0.76
ALK Q9UM73 18/20 0.76
IGF1R P08069 14/20 0.76
NTRK1 P04629 4/20 0.74
AURKA O14965 3/20 0.74
AURKB Q96GD4 3/20 0.74
PLK4 O00444 1/20 0.74
DAPK3 O43293 1/20 0.74
JAK2 O60674 1/20 0.74
MAP4K4 O95819 1/20 0.74
ABL1 P00519 1/20 0.74
PRKCG P05129 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74
CSF1R P07333 1/20 0.74
LYN P07948 1/20 0.74
RET P07949 1/20 0.74
MET P08581 1/20 0.74
ROS1 P08922 1/20 0.74
KIT P10721 1/20 0.74

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
SCHEMBL21759420 0.90 INSR (0.76) INSRALKIGF1RNTRK1AURKA
SCHEMBL25649763 0.90 INSR (0.76) INSRALKIGF1RNTRK1AURKA
SCHEMBL30459188 0.89 INSR (0.74) INSRALKIGF1RNTRK1AURKA
SCHEMBL29188392 0.89 INSR (0.74) INSRALKIGF1RNTRK1AURKA
SCHEMBL3512032 0.88 ALK (0.91) INSRALKIGF1RNTRK1AURKA
SCHEMBL3510435 0.87 ALK (0.98) INSRALKIGF1RNTRK1AURKA
SCHEMBL3511692 0.87 ALK (0.96) INSRALKIGF1RNTRK1AURKA
SCHEMBL25398877 0.87 INSR (0.83) INSRALKIGF1RNTRK1AURKA
SCHEMBL30170727 0.87 INSR (0.83) INSRALKIGF1RNTRK1AURKA
SCHEMBL3513299 0.86 INSR (0.83) INSRALKIGF1RNTRK1AURKA

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