SCHEMBL28059531

SCHEMBL28059531

CCCC(C)(C#N)NC=O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 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
SCHEMBL15605978 0.73
SCHEMBL18801013 0.73
SCHEMBL269676 0.70
SCHEMBL8626674 0.70 ADH1B (0.36) PKMADH1BADH1AADH7
SCHEMBL15812482 0.69 ALDH1A1 (0.37)
SCHEMBL28704134 0.67
SCHEMBL10606841 0.67
SCHEMBL8629305 0.67 ADH1B (0.38) PKMADH1BADH1AADH7
SCHEMBL3114237 0.67
SCHEMBL28067650 0.67

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
CN-103724279-B One step to form the loop prepares the convenient synthetic method of 2-methyl-4-amino-5-amino methylpyrimidine XINFA PHARMACEUTICAL CO., LTD. (CN) 2016-04-06 CN claimed
CN-103724279-B One step to form the loop prepares the convenient synthetic method of 2-methyl-4-amino-5-amino methylpyrimidine XINFA PHARMACEUTICAL CO., LTD. (CN) 2016-04-06 CN disclosed