SCHEMBL6822701

SCHEMBL6822701

Cn1nc(C(N)=O)nc1CN

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
KLKB1 P03952 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL6825781 0.98 MAPK1 (0.31) MAPK1KLKB1POLB
SCHEMBL31759486 0.85 MAPK1 (0.32) MAPK1KLKB1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL6826099 0.78 ADORA2A (0.43) L3MBTL1KDM4E
SCHEMBL30900609 0.74 PIM3 (0.39) MAPK1POLBL3MBTL1KDM4E
SCHEMBL8092354 0.73
SCHEMBL18965268 0.69
SCHEMBL8087667 0.65 ALDH1A1 (0.35) SMN1; SMN2KDM4E
SCHEMBL6826054 0.60 SMYD3 (0.40) POLBL3MBTL1KDM4E
SCHEMBL6825782 0.60 PLA2G10 (0.45) MAPK1POLBL3MBTL1DPP4DPP8
SCHEMBL1088195 0.60 MAPK1 (0.48) MAPK1POLBL3MBTL1KDM4E

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
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed