SCHEMBL18476409

SCHEMBL18476409

C=C1C(=N)N(C2CCCC2)C(CC)C(=O)N1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.38
PLK2 Q9NYY3 16/20 0.38
BRD4 O60885 2/20 0.38
PLK3 Q9H4B4 14/20 0.36
TAF1 P21675 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18475419 1.00 PLK1 (0.38) PLK1PLK2BRD4PLK3TAF1
SCHEMBL14193656 0.80 PLK1 (0.37) PLK1PLK2BRD4PLK3TAF1
SCHEMBL7750944 0.79 PLK1 (0.37) PLK1PLK2BRD4PLK3TAF1
SCHEMBL16984420 0.77 PLK1 (0.37) PLK1PLK2BRD4PLK3TAF1
SCHEMBL10144547 0.70 PLK1 (0.39) PLK1PLK2BRD4PLK3
SCHEMBL16984508 0.70 OPRM1 (0.32) PLK1PLK2PLK3ALDH1A1CYP2C9
SCHEMBL6840385 0.69 PLK1 (0.34) PLK1PLK2BRD4PLK3TAF1
SCHEMBL11957666 0.69 PLK1 (0.46) PLK1PLK2BRD4PLK3
SCHEMBL10093296 0.69 PLK1 (0.30) PLK1PLK2PLK3
SCHEMBL16984507 0.68 PLK1 (0.31) PLK1PLK2BRD4PLK3TAF1

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-4119552-A1 REGULATING CHIMERIC ANTIGEN RECEPTORS Dana-Farber Cancer Institute, Inc. (US) 2023-01-18 EP disclosed
WO-2017024318-A1 TARGETED PROTEIN DEGRADATION TO ATTENUATE ADOPTIVE T-CELL THERAPY ASSOCIATED ADVERSE INFLAMMATORY RESPONSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-09 WO disclosed