SCHEMBL7449476

SCHEMBL7449476

Cc1ccc(N(C(N)=O)c2ccc(C3=NCCc4ccc(F)cc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.42
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA7 P43166 5/20 0.37
CA9 Q16790 5/20 0.37
CA14 Q9ULX7 5/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK14 Q16539 3/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KLK1 P06870 1/20 0.34
GRM2 Q14416 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL7406251 0.90 PLG (0.41) MAPK10CA1CA2CA7CA9
SCHEMBL7401465 0.89 MAPK10 (0.41) MAPK10CA1CA2CA7CA9
SCHEMBL7400299 0.88 MAPK10 (0.40) MAPK10CA1CA2CA7CA9
SCHEMBL7399046 0.88 MAPK10 (0.39) MAPK10CA1CA2CA7CA9
SCHEMBL7406970 0.86 MAPK10 (0.38) MAPK10CA1CA2CA7CA9
SCHEMBL7405026 0.85 MAPK10 (0.40) MAPK10CA1CA2CA7CA9
SCHEMBL7408668 0.85 MAPK10 (0.38) MAPK10CA1CA2CA7CA9
SCHEMBL7408189 0.84 PLG (0.39) MAPK10CA1CA2CA7CA9
SCHEMBL7405526 0.83 MAPK10 (0.36) MAPK10CA1CA2CA7CA9
SCHEMBL7404117 0.82 MAPK10 (0.35) MAPK10CA1CA2CA7CA9

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
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed