SCHEMBL5408910

SCHEMBL5408910

CC(C)n1ncc(N)c1NCCCCCO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.37
CDK2 P24941 3/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH3 Q9ULD8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NUDT1 P36639 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FPR1 P21462 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL5403288 0.81
SCHEMBL5405032 0.80 FPR1 (0.33) ALDH1A1LMNAMAPTFPR1
SCHEMBL5401214 0.80 FPR1 (0.30) FPR1
SCHEMBL5396441 0.79
SCHEMBL5413624 0.78 JAK2 (0.34) CDK1CDK2CCNB1CCNE1JAK2
SCHEMBL5399010 0.78
SCHEMBL5402356 0.77 FPR1 (0.34) FPR1
SCHEMBL5406786 0.77 JAK2 (0.32) CDK1CDK2CCNB1CCNE1JAK2
SCHEMBL5439335 0.77 JAK2 (0.34) JAK2JAK1JAK3KCNH3ALDH1A1
SCHEMBL5399963 0.76 JAK2 (0.35) JAK2JAK1JAK3KCNH3ALDH1A1

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