SCHEMBL30750635

SCHEMBL30750635

CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(CCCN(C)CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.70
▸ PLK1 P53350 13/20 0.70
▸ PLK3 Q9H4B4 7/20 0.70
▸ ALK Q9UM73 5/20 0.70
▸ PLK2 Q9NYY3 5/20 0.70
▸ TAF1 P21675 5/20 0.70
▸ PRKD3 O94806 3/20 0.70
▸ CLK2 P49760 3/20 0.70
▸ PTK2 Q05397 3/20 0.70
▸ CAMK2G Q13555 3/20 0.70
▸ CAMK2D Q13557 3/20 0.70
▸ PRKD2 Q9BZL6 3/20 0.70
▸ CSNK1G1 Q9HCP0 3/20 0.70
▸ CSNK1G3 Q9Y6M4 3/20 0.70
▸ BRDT Q58F21 3/20 0.70
▸ DAPK3 O43293 2/20 0.70
▸ CHEK2 O96017 2/20 0.70
▸ EGFR P00533 2/20 0.70
▸ FES P07332 2/20 0.70
▸ PHKG2 P15735 2/20 0.70

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
SCHEMBL27379414 1.00 BRD4 (0.70) BRD4PLK1PLK3ALKPLK2
SCHEMBL30750663 0.94 PLK1 (0.75) BRD4PLK1PLK3ALKPLK2
SCHEMBL30750655 0.91 PLK1 (0.76) BRD4PLK1PLK3ALKPLK2
SCHEMBL376040 0.91 PLK1 (0.83) BRD4PLK1PLK3ALKPLK2
SCHEMBL4239111 0.91 PLK1 (0.83) BRD4PLK1PLK3ALKPLK2
SCHEMBL30750597 0.91 PLK1 (0.83) BRD4PLK1PLK3ALKPLK2
SCHEMBL27378737 0.90 PLK1 (0.71) BRD4PLK1PLK3ALKPLK2
SCHEMBL27378805 0.90 PLK1 (0.71) BRD4PLK1PLK3ALKPLK2
SCHEMBL27379510 0.90 PLK1 (0.75) BRD4PLK1PLK3ALKPLK2
SCHEMBL27379478 0.90 PLK1 (0.75) BRD4PLK1PLK3ALKPLK2

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-2024054954-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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