SCHEMBL29226302

SCHEMBL29226302

COc1nc(Nc2cc(N3CCN(C)CC3)ccc2OC(F)(F)F)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.58
▸ PLK1 P53350 5/20 0.55
▸ PLK3 Q9H4B4 2/20 0.55
▸ PLK2 Q9NYY3 2/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ NEK6 Q9HC98 1/20 0.55
▸ PTK2 Q05397 1/20 0.53
▸ BRD4 O60885 2/20 0.53

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
SCHEMBL29226213 0.89 PLK1 (0.57) PLK1PLK3PLK2FLT3NEK6
SCHEMBL30900433 0.89 PLK1 (0.57) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226256 0.89 PLK1 (0.59) PLK1PLK3PLK2FLT3NEK6
SCHEMBL30825072 0.82 PLK1 (0.63) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226315 0.82 PLK1 (0.63) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226252 0.82 PLK1 (0.62) PLK1PLK3PLK2FLT3NEK6
SCHEMBL30900402 0.82 PLK1 (0.62) PLK1PLK3PLK2FLT3NEK6
SCHEMBL38652813 0.81 PLK1 (0.52) PLK1PLK3PLK2FLT3NEK6
SCHEMBL38652557 0.80 PLK1 (0.53) PLK1PLK3PLK2FLT3NEK6
SCHEMBL38652678 0.79 PLK1 (0.55) PLK1PLK3PLK2FLT3NEK6

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
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
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