SCHEMBL22079201

SCHEMBL22079201

CNc1ccc2c(c1)-c1cc(Br)ccc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
ROS1 P08922 1/20 0.44
MARK3 P27448 1/20 0.44
LTK P29376 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44
PBK Q96KB5 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
MAPT P10636 1/20 0.44
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
TDP2 O95551 2/20 0.39
PGR P06401 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL7361875 0.85 SLC1A3 (0.48) CHEK2ROS1MARK3LTKFLT4
SCHEMBL30572826 0.82 CYP1A2 (0.49) MAPTHTR2CADRA2ATDP1CYP1A2
SCHEMBL29068503 0.82 CYP1A2 (0.49) MAPTHTR2CADRA2ATDP1CYP1A2
SCHEMBL29812691 0.82 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL3165396 0.82 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL22079080 0.81 MAPT (0.41) CHEK2ROS1MARK3LTKFLT4
SCHEMBL12117371 0.80 CHEK2 (0.55) CHEK2ROS1MARK3LTKFLT4
SCHEMBL20034967 0.79 CYP1A2 (0.54) MAPTHTR2CPGRADRA2ATDP1
SCHEMBL29569917 0.76 METAP1 (0.52) CHEK2ROS1MARK3LTKFLT4
SCHEMBL3129344 0.76 METAP1 (0.52) CHEK2ROS1MARK3LTKFLT4

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-2023099922-A1 INSECT NEUROPEPTIDE ANALOGUES Solasta Bio Limited (GB) 2023-06-08 WO disclosed
WO-2020115076-A2 INSECT CONTROL AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2020-06-11 WO disclosed