SCHEMBL27463240

SCHEMBL27463240

CNN1CC(NC)(NC)c2cc(NC(=O)Nc3ccc(-c4ccc(CN5CCOCC5)nc4)c4ccccc34)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.56
ABL1 P00519 2/20 0.53
RAF1 P04049 2/20 0.53
LYN P07948 2/20 0.53
MAPK9 P45984 2/20 0.53
SRC P12931 1/20 0.53
EGFR P00533 1/20 0.52
BRAF P15056 1/20 0.52
EPHA2 P29317 1/20 0.52
EPHA3 P29320 1/20 0.52
AKT1 P31749 1/20 0.52
KDR P35968 2/20 0.39
MOK Q9UQ07 4/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MTOR P42345 3/20 0.36
PIK3CA P42336 2/20 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
SCHEMBL4086911 0.85 MAPK14 (0.58) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082535 0.84 MAPK14 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4261859 0.82 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092250 0.81 MAPK14 (0.72) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098846 0.81 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4086988 0.80 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4088671 0.80 MAPK14 (0.67) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4085815 0.80 MAPK14 (0.58) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092101 0.80 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4086845 0.80 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9

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-1511830-A Compound used as antiphlogistic ���ָ��.Ӣ��ķҩ�﹫˾ 2004-07-14 CN disclosed
CN-1156452-C Compounds as anti-inflammatory agents ���ָ����Ӣ��ķҩ�﹫˾ 2004-07-07 CN disclosed