SCHEMBL3886015

SCHEMBL3886015

CC(C)(C)OC(=O)ON1CCC(Oc2c(C#N)cnc3ccc(/C=S4/CC(=O)N=C4N)cc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.33
EGFR P00533 2/20 0.31
TBK1 Q9UHD2 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL3879988 0.90 GPR119 (0.41) TBK1GPR119
SCHEMBL3888408 0.89 IRAK4 (0.34) CHRM4EGFRTBK1ERBB2
SCHEMBL3945087 0.85 CHRM4 (0.36) CHRM4EGFRERBB2
SCHEMBL3879322 0.81 CHRM4 (0.33) CHRM4TBK1
SCHEMBL3879481 0.81 TBK1 (0.36) TBK1
SCHEMBL5519256 0.81 TBK1 (0.36) TBK1
Hydrochloric Acid SCHEMBL3880946 0.81 CHRM4 (0.32) CHRM4TBK1
SCHEMBL3880872 0.80 IRAK4 (0.42) EGFRTBK1GPR119
SCHEMBL3881251 0.77 SRC (0.32)
SCHEMBL3887939 0.76 SRC (0.33)

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed