SCHEMBL28600437

SCHEMBL28600437

CC(Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.66
MAPK13 O15264 2/20 0.66
MAPK12 P53778 2/20 0.66
MAPK11 Q15759 2/20 0.66
EGFR P00533 1/20 0.66
CSNK1D P48730 1/20 0.66
CSNK1E P49674 1/20 0.66
KCNH2 Q12809 1/20 0.66
BRD4 O60885 2/20 0.56
BRDT Q58F21 2/20 0.56
BRD2 P25440 1/20 0.56
BRD3 Q15059 1/20 0.56

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
SCHEMBL31447690 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL24170159 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL31447746 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL24170158 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL24170184 0.87 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL24170573 0.87 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL21797183 0.87 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29841960 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29841951 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28607656 0.86 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11EGFR

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-113260616-A Novel compounds for the treatment of respiratory diseases 墨尔本大学 2021-08-13 CN disclosed