SCHEMBL28857064

SCHEMBL28857064

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CCN(C(=O)CC2CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.67
JAK1 P23458 14/20 0.67
JAK3 P52333 1/20 0.66

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
SCHEMBL28857063 0.95 JAK2 (0.63) JAK2JAK1JAK3
SCHEMBL28857067 0.92 JAK2 (0.71) JAK2JAK1JAK3
SCHEMBL28857001 0.89 JAK2 (0.73) JAK2JAK1JAK3
SCHEMBL28857057 0.88 JAK2 (0.73) JAK2JAK1JAK3
SCHEMBL28857145 0.86 JAK2 (0.68) JAK2JAK1JAK3
SCHEMBL28857140 0.86 JAK2 (0.80) JAK2JAK1JAK3
SCHEMBL12310070 0.85 JAK2 (0.70) JAK2JAK1JAK3
SCHEMBL29541207 0.84 JAK2 (0.83) JAK2JAK1JAK3
SCHEMBL100609 0.84 JAK2 (0.83) JAK2JAK1JAK3
SCHEMBL28857008 0.84 JAK1 (0.71) JAK2JAK1JAK3

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
CN-114149437-A Pyrrolopyrimidine five-membered nitrogen heterocyclic derivative and preparation method and application thereof 安徽大学 2022-03-08 CN claimed
CN-114149437-A Pyrrolopyrimidine five-membered nitrogen heterocyclic derivative and preparation method and application thereof 安徽大学 2022-03-08 CN disclosed