SCHEMBL4962769

SCHEMBL4962769

O=C(O)N1CCC(c2ncnc3cc(OCCCC4CCNC4)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 16/20 0.45
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CHEK1 O14757 1/20 0.37

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
SCHEMBL4964360 0.95 MAPK7 (0.44) MAPK7
SCHEMBL5078838 0.89 MAPK7 (0.45) MAPK7CHEK1
SCHEMBL4965011 0.84 MAPK7 (0.52) MAPK7
SCHEMBL4964717 0.84 CHEK1 (0.48) MAPK7CHEK1
SCHEMBL4963499 0.83 MAPK7 (0.52) MAPK7
SCHEMBL4964123 0.82 MAP2K1 (0.39)
SCHEMBL4963785 0.82 MAPK7 (0.55) MAPK7
SCHEMBL4963308 0.81 MAPK7 (0.46) MAPK7
SCHEMBL5075226 0.81 AURKA (0.52) MAPK7
SCHEMBL4962785 0.80 MAPK7 (0.47) MAPK7

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
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed