SCHEMBL20136162

SCHEMBL20136162

CNc1c(N)nn(C)c1N.Cn1nc(N)c(NCCO)c1N

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL33882 0.93 CDK1 (0.38) CDK1HRH4
Sulfuric Acid SCHEMBL7777786 0.86 CDK1 (0.34) CDK1HRH4
SCHEMBL34103 0.82 CCNT1 (0.38) CDK1
Sulfuric Acid SCHEMBL7778359 0.76 CCNT1 (0.33) CDK1
SCHEMBL7144547 0.75 CCNT1 (0.34) CDK1
SCHEMBL8025225 0.73 CDK1 (0.38) CDK1HRH4
SCHEMBL19313228 0.67 PKM (0.44) CDK1
SCHEMBL1801275 0.65 KDM4E (0.35) CDK1HRH4
SCHEMBL14321629 0.63 CCNT1 (0.33) CDK1
SCHEMBL1701046 0.63 CCNT1 (0.33) CDK1

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
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed