SCHEMBL4452232

SCHEMBL4452232

CCCCOC(C)(Nc1nc(N)nc(N)n1)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
PIN1 Q13526 1/20 0.32
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TLR8 Q9NR97 5/20 0.31
TLR7 Q9NYK1 5/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL5157470 0.81 CDK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1012240 0.81 CDK1 (0.31) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL3430474 0.80 HSD17B10 (0.37) LMNAHTTHSD17B10
SCHEMBL36243 0.75 CDK1 (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16423545 0.75 CDK1 (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9844627 0.73 CDK1 (0.31) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8854656 0.70 HSD17B10 (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5848944 0.70
SCHEMBL16423542 0.70 CDK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10603018 0.69 TLR8 (0.38) TLR8TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619019-B2 Low bake melamine cured coating compositions NIPPON PAINT (USA), INC. (US) 2009-11-17 US disclosed
US-20060223953-A1 Low bake melamine cured coating compositions NIPPON PAINT (USA), INC. 2006-10-05 US disclosed
EP-1707597-A1 Low bake melamine cured coating compositions Rohm and Haas Company (US) 2006-10-04 EP disclosed