SCHEMBL4693855

SCHEMBL4693855

CCNC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(CC)CC4)cc3)c2s1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.86
CDC7 O00311 1/20 0.56
CHEK1 O14757 1/20 0.56
JAK2 O60674 1/20 0.56
PAK4 O96013 1/20 0.56
NTRK1 P04629 1/20 0.56
PRKCB P05771 1/20 0.56
INSR P06213 1/20 0.56
RET P07949 1/20 0.56
KIT P10721 1/20 0.56
FGFR1 P11362 1/20 0.56
PRKACA P17612 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
JAK3 P52333 1/20 0.56
PDK1 Q15118 1/20 0.56
AURKB Q96GD4 1/20 0.56
STK26 Q9P289 1/20 0.56
AURKC Q9UQB9 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
SCHEMBL4696441 0.93 AURKA (1.00) AURKA
Hydrochloric Acid SCHEMBL3886218 0.92 AURKA (0.98) AURKA
SCHEMBL3880586 0.91 AURKA (0.71) AURKACDC7CHEK1JAK2PAK4
SCHEMBL3886004 0.90 AURKA (0.70) AURKAFGFR1
SCHEMBL2417396 0.90 AURKA (0.86) AURKACDC7CHEK1JAK2PAK4
SCHEMBL3882656 0.89 AURKA (0.83) AURKACDC7CHEK1JAK2PAK4
SCHEMBL2419693 0.85 AURKA (0.64) AURKAFGFR1
SCHEMBL3890272 0.82 AURKA (0.69) AURKACDC7CHEK1JAK2PAK4
SCHEMBL3885418 0.81 AURKA (1.00) AURKAKIT
SCHEMBL3880769 0.81 AURKA (0.80) AURKAKIT

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