SCHEMBL4367230

SCHEMBL4367230

Cc1cc(Nc2cc(N3CCNCC3)nc(Sc3ccc(C(N)=O)cc3)n2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.57
AURKB Q96GD4 11/20 0.57
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PRKD2 Q9BZL6 3/20 0.46
PLK4 O00444 2/20 0.46
AURKC Q9UQB9 2/20 0.46
NTRK1 P04629 2/20 0.46
BMPR1B O00238 1/20 0.46
STK25 O00506 1/20 0.46
RIOK3 O14730 1/20 0.46
CHEK1 O14757 1/20 0.46
GAK O14976 1/20 0.46
MUSK O15146 1/20 0.46
EPHB6 O15197 1/20 0.46
PDPK1 O15530 1/20 0.46
MAP3K13 O43283 1/20 0.46
DAPK3 O43293 1/20 0.46
MAP3K7 O43318 1/20 0.46
NUAK1 O60285 1/20 0.46

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
SCHEMBL1954399 0.92 AURKA (0.59) AURKAAURKBABL1BCRPRKD2
SCHEMBL2713050 0.89 AURKA (0.57) AURKAAURKBABL1BCRPRKD2
SCHEMBL4367242 0.88 AURKA (0.55) AURKAAURKBABL1BCRPRKD2
SCHEMBL3993715 0.88 AURKA (0.47) AURKAAURKBABL1BCRPRKD2
SCHEMBL2959240 0.86 AURKA (0.55) AURKAAURKBABL1BCRPRKD2
SCHEMBL12338729 0.85 AURKB (0.79) AURKAAURKBABL1BCRPRKD2
SCHEMBL12338731 0.85 AURKA (0.62) AURKAAURKBABL1BCRPRKD2
SCHEMBL2958300 0.84 AURKA (0.53) AURKAAURKBABL1BCRPRKD2
SCHEMBL4370921 0.84 AURKB (0.48) AURKAAURKBABL1BCRPRKD2
SCHEMBL12338737 0.84 AURKA (0.67) AURKAAURKBABL1BCRPRKD2

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-2009086012-A1 AURORA INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-07-09 WO disclosed