SCHEMBL6065009

SCHEMBL6065009

C=CCN1C(=N)NCC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL3871684 0.82 TSHR (0.48) MAPTPOLBTSHRCYP3A4L3MBTL1
SCHEMBL1598194 0.81 MAPT (0.50) MAPTPOLBTSHRL3MBTL1MEN1
SCHEMBL14547540 0.78 MAPT (0.39) MAPTPOLBTSHRCYP3A4L3MBTL1
Barbituric Acid SCHEMBL8741420 0.71 MAPT (0.41) MAPTPOLBL3MBTL1MEN1KMT2A
SCHEMBL11500353 0.69 GAA (0.54) MAPTPOLBTSHRL3MBTL1MEN1
SCHEMBL9212290 0.69 TSHR (0.69) TSHRL3MBTL1MEN1KMT2AGSK3A
SCHEMBL10977047 0.69 POLB (0.43) MAPTPOLBCYP3A4L3MBTL1MEN1
SCHEMBL8903951 0.68 CYP3A4 (0.46) MAPTPOLBTSHRCYP3A4L3MBTL1
SCHEMBL288566 0.68 CYP3A4 (0.46) MAPTPOLBTSHRCYP3A4L3MBTL1
SCHEMBL16116448 0.68

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-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed