SCHEMBL29777601

SCHEMBL29777601

CONC(=O)c1ccccc1Nc1cc(Cl)ncc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.60
MAPK10 P53779 5/20 0.55
MAPK8 P45983 3/20 0.55
PTGS2 P35354 4/20 0.55
MAPK3 P27361 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPK9 P45984 2/20 0.44
ULK1 O75385 1/20 0.44
ALK Q9UM73 2/20 0.42
MET P08581 1/20 0.42
TOP1 P11387 3/20 0.42
MT-CO2 P00403 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL690498 1.00 PTK2 (0.60) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL13299170 0.89 PTK2 (0.64) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL719807 0.88 PTGS2 (0.50) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL12103007 0.87 PTK2 (0.65) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL29777593 0.86 MAPK10 (0.65) PTK2MAPK10MAPK8MAPK3MAPK1
SCHEMBL690590 0.86 MAPK10 (0.65) PTK2MAPK10MAPK8MAPK3MAPK1
SCHEMBL29777580 0.84 PTK2 (0.46) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL29777630 0.84 PTK2 (0.46) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL689687 0.84 PTGS2 (0.47) PTK2MAPK10MAPK8PTGS2MAPK3
SCHEMBL690156 0.82 MAPK8 (0.50) PTK2MAPK10MAPK8PTGS2MAPK3

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
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed