SCHEMBL5409869

SCHEMBL5409869

CCCn1ncc(N)c1NCCCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.34
POLB P06746 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
CYP1A2 P05177 1/20 0.32
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30
PDE4B Q07343 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL5399963 0.94 JAK2 (0.35) NUDT1POLBTLR8TLR7AXL
SCHEMBL5417504 0.89 NUDT1 (0.36) NUDT1POLBCDK1CDK2CYP1A2
SCHEMBL5433234 0.88 MERTK (0.36) TLR8TLR7MERTK
SCHEMBL14357558 0.86 POLB (0.34) POLBTLR8TLR7
SCHEMBL5439335 0.84 JAK2 (0.34) NUDT1MERTKSMN1; SMN2IRAK1
SCHEMBL5413624 0.82 JAK2 (0.34) NUDT1TLR8TLR7CDK1CDK2
SCHEMBL5438004 0.82
SCHEMBL5403246 0.81 POLB (0.35) POLBCYP1A2SMN1; SMN2
SCHEMBL5399872 0.81 POLB (0.31) POLB
SCHEMBL14357564 0.80 CDK1 (0.36) NUDT1CDK1CDK2CYP1A2

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-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed