SCHEMBL28043443

SCHEMBL28043443

C#CC1CCCN(OC(C)=O)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL27670177 0.83 MEN1 (0.34) MEN1KMT2A
SCHEMBL7234663 0.75 ALDH1A1 (0.43) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL7405162 0.75 CA12 (0.35) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL3762272 0.74 ALDH1A1 (0.40)
SCHEMBL28101526 0.74 CHRM2 (0.33) CHRM2MEN1CYP2D6KMT2ACHRM1
Hydrochloric Acid SCHEMBL28528599 0.72 CHRM2 (0.33) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL27912461 0.71 ALDH1A1 (0.34) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL2571959 0.70
SCHEMBL16042352 0.70 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL28113363 0.70 CYP2D6 (0.33) CHRM2MEN1CYP2D6KMT2ACHRM1

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
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed