SCHEMBL10068439

SCHEMBL10068439

CCCCCN(c1nc(NCCO)nc(N(CCCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC29A1 Q99808 1/20 0.32

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
SCHEMBL78006 0.97 CDK1 (0.34) CDK1KMT2ASLC29A1
SCHEMBL15711878 0.95 CDK1 (0.33) CDK1KMT2ASLC29A1
SCHEMBL15275684 0.93 CDK1 (0.35) CDK1SLC29A1
SCHEMBL13246450 0.93 CDK1 (0.35) CDK1
SCHEMBL12190352 0.93 CDK1 (0.31) CDK1
SCHEMBL13854371 0.91 CDK1 (0.31) CDK1
SCHEMBL15306481 0.91 CDK1 (0.30) CDK1
SCHEMBL7480052 0.91
SCHEMBL13215815 0.91 MEN1 (0.30) KMT2A
SCHEMBL9591412 0.90

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-20120114933-A1 UV-CURING PROTECTIVE LAYER FOR THERMOPLASTIC SUBSTRATES BAYER MATERIALSCIENCE AG (DE) 2012-05-10 US disclosed
WO-2010130349-A1 UV-CURING PROTECTIVE LAYER FOR THERMOPLASTIC SUBSTRATES BAYER MATERIALSCIENCE AG (DE) 2010-11-18 WO disclosed