SCHEMBL10831986

SCHEMBL10831986

Cc1nc(N)n(N)c(=O)c1CCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.33
CHEK1 O14757 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALPI P09923 2/20 0.30
ALPL P05186 1/20 0.30
ALPG P10696 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
KDM5A P29375 1/20 0.30
PNP P00491 1/20 0.30
HTT P42858 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
SCHEMBL9382067 0.83 KDM4E (0.43) KDM4EALDH1A1MAPTGAACHEK1
SCHEMBL10833000 0.71 KDM4E (0.35) KDM4EALDH1A1MAPTPOLB
SCHEMBL18091413 0.68 KDM5B (0.40) KDM4EALDH1A1MAPTPOLB
SCHEMBL19945607 0.68 ALDH1A1 (0.33) KDM4EALDH1A1MAPTPOLB
SCHEMBL5107992 0.67 KDM4E (0.44) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL9383926 0.67 KDM4E (0.41) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL512553 0.67 NPSR1 (0.58) KDM4EALDH1A1MAPTGAACHEK1
SCHEMBL9801808 0.66 KDM4E (0.40) KDM4EALDH1A1MAPTGAA
SCHEMBL9425282 0.65 KDM4E (0.39) KDM4EALDH1A1MAPTGAA
SCHEMBL9383309 0.65 KDM4E (0.39) KDM4EALDH1A1MAPTGAA

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
US-4577018-A 2,3-Diamino-substituted-4(3H)-pyrimidinones and platinum chelates AMERICAN CYANAMID COMPANY (US) 1986-03-18 US claimed
US-4577018-A 2,3-Diamino-substituted-4(3H)-pyrimidinones and platinum chelates AMERICAN CYANAMID COMPANY (US) 1986-03-18 US disclosed