SCHEMBL28059624

SCHEMBL28059624

CC(C#N)NC=O.Cc1c2cccc1-2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PABPC1 P11940 1/20 0.30
EPHX1 P07099 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
SCHEMBL2152013 0.79
SCHEMBL3828122 0.79
SCHEMBL1572232 0.77
SCHEMBL31336777 0.77
SCHEMBL11807989 0.74 ADH1B (0.39) ADH1BADH1CADH1A
SCHEMBL11706931 0.64 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL10907928 0.62 ALDH1A1 (0.43) KMT2A
Phosphine SCHEMBL1716795 0.62
SCHEMBL11575400 0.61 KEAP1 (0.42) MEN1KMT2A
SCHEMBL4639528 0.60 TSHR (0.39)

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-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