SCHEMBL30900402

SCHEMBL30900402

COc1ccnc(Nc2cc(N3CCN(C)CC3)ccc2OC(F)(F)F)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 19/20 0.62
▸ FLT3 P36888 4/20 0.60
▸ PLK3 Q9H4B4 3/20 0.53
▸ PLK2 Q9NYY3 3/20 0.53
▸ NEK6 Q9HC98 2/20 0.53
▸ PTK2 Q05397 1/20 0.51
▸ ALK Q9UM73 1/20 0.49

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
SCHEMBL29226252 1.00 PLK1 (0.62) PLK1FLT3PLK3PLK2NEK6
SCHEMBL30825072 0.87 PLK1 (0.63) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226315 0.87 PLK1 (0.63) PLK1FLT3PLK3PLK2NEK6
SCHEMBL30900315 0.87 PLK1 (0.66) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226318 0.87 PLK1 (0.66) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226302 0.82 EGFR (0.58) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226213 0.80 PLK1 (0.57) PLK1FLT3PLK3PLK2NEK6
SCHEMBL30900433 0.80 PLK1 (0.57) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29227000 0.80 PLK1 (0.58) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226256 0.79 PLK1 (0.59) PLK1FLT3PLK3PLK2NEK6

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
CN-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 — — CN disclosed
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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