SCHEMBL29135093

SCHEMBL29135093

Fc1ccccc1-c1ncn(C2CCCCC2)c1-c1cc[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
EGFR P00533 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
KCNH2 Q12809 1/20 0.40
TGFBR1 P36897 3/20 0.37
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
PRKCA P17252 1/20 0.35
JAK1 P23458 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 1/20 0.35
ACVR1 Q04771 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL29135102 0.87 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28483827 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28489703 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28485168 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29135101 0.81 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28479514 0.79 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29135090 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28483830 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28480588 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL28479501 0.77 MAPK13 (0.42) 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-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed