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SCHEMBL3702987

SCHEMBL3702987

COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C.COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 14/20 0.83
▸ RAD52 P43351 2/20 0.82
▸ BRD4 O60885 8/20 0.72
▸ BRDT Q58F21 8/20 0.72
▸ ALK Q9UM73 1/20 0.64
▸ TTK P33981 1/20 0.63
▸ PLK3 Q9H4B4 2/20 0.61
▸ PLK2 Q9NYY3 1/20 0.61

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
SCHEMBL1202746 0.98 PLK1 (0.86) PLK1RAD52BRD4BRDTALK
SCHEMBL4304227 0.94 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL4301986 0.94 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL4300694 0.94 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL1202517 0.94 PLK1 (0.94) PLK1RAD52BRD4BRDTALK
SCHEMBL1203517 0.91 PLK1 (0.81) PLK1RAD52BRD4BRDTALK
SCHEMBL4295279 0.91 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL3546277 0.91 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL4295263 0.91 PLK1 (0.82) PLK1RAD52BRD4BRDTALK
SCHEMBL4305052 0.91 PLK1 (0.82) PLK1RAD52BRD4BRDTALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205603-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2010-07-14 — — EP disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 — — WO disclosed