SCHEMBL4695299

SCHEMBL4695299

O=C(O)Oc1cc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.64
KDR P35968 2/20 0.57
KIT P10721 2/20 0.57
CDC7 O00311 1/20 0.57
CHEK1 O14757 1/20 0.57
JAK2 O60674 1/20 0.57
PAK4 O96013 1/20 0.57
NTRK1 P04629 1/20 0.57
PRKCB P05771 1/20 0.57
INSR P06213 1/20 0.57
RET P07949 1/20 0.57
FGFR1 P11362 1/20 0.57
PRKACA P17612 1/20 0.57
FLT4 P35916 1/20 0.57
JAK3 P52333 1/20 0.57
PDK1 Q15118 1/20 0.57
AURKB Q96GD4 1/20 0.57
STK26 Q9P289 1/20 0.57
AURKC Q9UQB9 1/20 0.57
FLT3 P36888 1/20 0.50

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
SCHEMBL4632688 0.85 AURKA (0.51) AURKAKDRKITCDC7CHEK1
SCHEMBL3878843 0.85 AURKA (0.75) AURKAKDRKITCDC7CHEK1
SCHEMBL3879467 0.85 AURKA (0.71) AURKAKDRKITCDC7CHEK1
SCHEMBL3881091 0.78 AURKA (0.86) AURKAKDRKITCDC7CHEK1
SCHEMBL3880360 0.78 AURKA (1.00) AURKAKDRKITCDC7CHEK1
SCHEMBL3882192 0.78 AURKA (1.00) AURKAKDRKITCDC7CHEK1
SCHEMBL3881690 0.78 AURKA (1.00) AURKAKDRKITCDC7CHEK1
SCHEMBL18108536 0.77 AURKA (0.59) AURKAKDRKITCDC7CHEK1
SCHEMBL3885141 0.77 AURKA (0.81) AURKAKDRKITCDC7CHEK1
SCHEMBL4632583 0.77 NTRK1 (0.47) AURKAKDRKITCDC7CHEK1

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
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP claimed