SCHEMBL28033316

SCHEMBL28033316

Clc1cc(Nc2ccccc2I)c(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C1R P00736 7/20 0.41
MAPK8 P45983 3/20 0.36
MAPK10 P53779 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IGF1R P08069 2/20 0.34
MAPK3 P27361 2/20 0.33
MAPK1 P28482 2/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
INSR P06213 1/20 0.33
ALK Q9UM73 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL13299024 0.80 MAPK10 (0.45) MAPK8MAPK10KDM4EGAAMAPT
SCHEMBL691207 0.76 FLT1 (0.45) KDM4EGAAMAPTL3MBTL1IGF1R
SCHEMBL693586 0.75 PBRM1 (0.56) MAPTKMT2A
SCHEMBL1686520 0.73 C1R (0.43) C1RKDM4EGAAMAPTKMT2A
SCHEMBL24752703 0.72 ALK (0.44) C1RMAPK10IGF1RINSRALK
SCHEMBL30184233 0.72 ALK (0.44) C1RMAPK10IGF1RINSRALK
SCHEMBL690590 0.72 MAPK10 (0.65) MAPK8MAPK10IGF1RMAPK3MAPK1
SCHEMBL29777593 0.72 MAPK10 (0.65) MAPK8MAPK10IGF1RMAPK3MAPK1
SCHEMBL28681862 0.71 ALK (0.54) IGF1RINSRALK
SCHEMBL22858546 0.71 EGFR (0.33) MAPK8MAPK10MAPK3MAPK1ALK

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
CN-105294759-A Preparation method of antitumor drug SOUTHEAST PHARMACEUTICALS CO LTD 2016-02-03 CN disclosed
CN-105294759-A Preparation method of antitumor drug SOUTHEAST PHARMACEUTICALS CO LTD 2016-02-03 CN disclosed