SCHEMBL74103

SCHEMBL74103

CCC1CCCC1N1c2nc(Nc3cccc(C(=O)NC)c3OC)ncc2-n2cnc(C(=O)O)c2[C@H]1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.53
BRD4 O60885 2/20 0.43
PLK3 Q9H4B4 4/20 0.39
PLK2 Q9NYY3 3/20 0.39
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
PTK2 Q05397 2/20 0.38
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCG P05129 1/20 0.37
CLK2 P49760 1/20 0.37
RPS6KA3 P51812 1/20 0.37
NEK4 P51957 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL73868 0.80 PLK1 (0.49) PLK1BRD4PLK3PLK2INSR
SCHEMBL74215 0.76 PLK1 (0.81) PLK1BRD4PLK3PLK2INSR
SCHEMBL74216 0.76 PLK1 (0.81) PLK1BRD4PLK3PLK2INSR
SCHEMBL1120144 0.72 PLK1 (0.53) PLK1BRD4PLK3PLK2PTK2
SCHEMBL73871 0.71 PLK1 (0.91) PLK1BRD4PLK3PLK2INSR
SCHEMBL73872 0.71 PLK1 (0.91) PLK1BRD4PLK3PLK2INSR
SCHEMBL6127769 0.71 PLK1 (0.59) PLK1BRD4PLK3PLK2
SCHEMBL6124280 0.71 PLK1 (0.73) PLK1BRD4PLK3PLK2INSR
SCHEMBL84783 0.70 PLK1 (0.82) PLK1BRD4PLK3PLK2INSR
SCHEMBL3234508 0.68 PLK1 (0.82) PLK1BRD4PLK3PLK2INSR

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