SCHEMBL30356851

SCHEMBL30356851

CCOc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC)C(=O)N2C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.81
BRD4 O60885 5/20 0.81
ALK Q9UM73 4/20 0.81
PLK3 Q9H4B4 16/20 0.78
PLK2 Q9NYY3 14/20 0.78
PRKD3 O94806 3/20 0.77
CLK2 P49760 3/20 0.77
PTK2 Q05397 3/20 0.77
CAMK2G Q13555 3/20 0.77
CAMK2D Q13557 3/20 0.77
PRKD2 Q9BZL6 3/20 0.77
CSNK1G1 Q9HCP0 3/20 0.77
CSNK1G3 Q9Y6M4 3/20 0.77
MAP4K4 O95819 2/20 0.77
PRKCG P05129 2/20 0.77
RPS6KA3 P51812 2/20 0.77
NEK4 P51957 2/20 0.77
SRPK1 Q96SB4 1/20 0.77
BRDT Q58F21 2/20 0.73
DAPK3 O43293 2/20 0.73

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
SCHEMBL29922386 0.94 PLK1 (0.87) PLK1BRD4ALKPLK3PLK2
SCHEMBL29453442 0.94 PLK1 (0.87) PLK1BRD4ALKPLK3PLK2
SCHEMBL376134 0.94 PLK1 (0.87) PLK1BRD4ALKPLK3PLK2
SCHEMBL16971992 0.94 PLK1 (0.87) PLK1BRD4ALKPLK3PLK2
SCHEMBL15257514 0.94 PLK1 (0.87) PLK1BRD4ALKPLK3PLK2
SCHEMBL4515444 0.90 BRD4 (1.00) PLK1BRD4ALKPLK3PLK2
SCHEMBL375822 0.90 PLK1 (0.85) PLK1BRD4ALKPLK3PLK2
SCHEMBL31098147 0.90 PLK1 (0.85) PLK1BRD4ALKPLK3PLK2
SCHEMBL376104 0.89 BRD4 (0.81) PLK1BRD4ALKPLK3PLK2
SCHEMBL31098099 0.88 PLK1 (0.81) PLK1BRD4ALKPLK3PLK2

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
WO-2023059582-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed