SCHEMBL4697361

SCHEMBL4697361

CN1CCN(c2cccc(C(=O)Nc3n[nH]c4cc(C(=O)O)sc34)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.69
KIT P10721 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL3886215 0.93 AURKA (0.65) AURKAKITFLT3
SCHEMBL3879764 0.91 AURKA (0.64) AURKAKITFLT3
SCHEMBL3887853 0.89 AURKA (0.81) AURKAKITFLT3
SCHEMBL6374740 0.89 AURKA (0.66) AURKAKIT
SCHEMBL3880769 0.82 AURKA (0.80) AURKAKITFLT3
SCHEMBL3879279 0.81 AURKA (1.00) AURKA
SCHEMBL3887141 0.80 AURKA (0.78) AURKA
SCHEMBL3880586 0.80 AURKA (0.71) AURKAKIT
SCHEMBL6376887 0.79 SMN1; SMN2 (0.52) AURKAFLT3
SCHEMBL3883428 0.79 AURKA (0.77) AURKAFLT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO disclosed