SCHEMBL88829

SCHEMBL88829

CCC1C(=O)Nc2cnc(Cl)nc2N1C1CCCC1.CCC1c2c(C(=O)O)ncn2-c2cnc(Cl)nc2N1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.47
PLK2 Q9NYY3 9/20 0.43
PLK3 Q9H4B4 6/20 0.43
BRD4 O60885 1/20 0.40

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
SCHEMBL88828 1.00 PLK1 (0.47) PLK1PLK2PLK3BRD4
SCHEMBL74771 0.91 PLK1 (0.53) PLK1PLK2PLK3BRD4
SCHEMBL10319396 0.83 PLK1 (0.51) PLK1PLK2PLK3BRD4
SCHEMBL30523195 0.83 PLK1 (0.51) PLK1PLK2PLK3BRD4
SCHEMBL382821 0.83 PLK1 (0.51) PLK1PLK2PLK3BRD4
SCHEMBL92593 0.83 PLK1 (0.51) PLK1PLK2PLK3BRD4
SCHEMBL1288242 0.81 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL1288243 0.81 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL84917 0.81 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL92591 0.80 PLK1 (0.53) PLK1PLK2PLK3BRD4

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
US-8129387-B2 Substituted 5,6-dihydroimidazo[1,5-F]pteridines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed