SCHEMBL5406786

SCHEMBL5406786

CC(O)CCCn1ncc(N)c1NCCCCCO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
CDK1 P06493 2/20 0.31
CDK2 P24941 2/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
PDE5A O76074 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
SCHEMBL5439335 0.87 JAK2 (0.34) JAK2JAK1JAK3PDE5A
SCHEMBL5399963 0.83 JAK2 (0.35) JAK2JAK1JAK3
SCHEMBL5401517 0.82
SCHEMBL5417504 0.81 NUDT1 (0.36) CDK1CDK2
SCHEMBL14357564 0.81 CDK1 (0.36) CDK1CDK2CCNB1CCNE1
SCHEMBL5413624 0.80 JAK2 (0.34) JAK2JAK1JAK3CDK1CDK2
SCHEMBL5396510 0.79
SCHEMBL5417781 0.78 POLB (0.32)
SCHEMBL5433234 0.78 MERTK (0.36)
SCHEMBL5405663 0.78 MERTK (0.34)

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 4 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 claimed
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