SCHEMBL28080532

SCHEMBL28080532

O=C(O)N1CCCC(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.52
JAK1 P23458 9/20 0.52
JAK2 O60674 5/20 0.50
TYK2 P29597 4/20 0.50
BTK Q06187 3/20 0.49
DOT1L Q8TEK3 1/20 0.47

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
SCHEMBL28345642 0.86 JAK3 (0.70) JAK3JAK1JAK2BTK
SCHEMBL28345574 0.83 JAK1 (0.70) JAK3JAK1JAK2TYK2
SCHEMBL16765519 0.80 JAK3 (0.78) JAK3JAK1BTK
SCHEMBL17350335 0.80 JAK3 (0.72) JAK3JAK1JAK2TYK2DOT1L
SCHEMBL17350131 0.79 JAK2 (0.76) JAK3JAK1JAK2TYK2
SCHEMBL30976754 0.79 JAK3 (0.47) JAK3JAK1JAK2TYK2
SCHEMBL2113254 0.78 HPGDS (0.58) JAK3JAK1JAK2TYK2
SCHEMBL24121894 0.77 JAK3 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL13961118 0.77 JAK3 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL12613724 0.76 JAK3 (0.48) JAK3JAK1JAK2TYK2BTK

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
CN-105712998-A Azaindole derivatives, preparation method and applications thereof in medicine 上海润诺生物科技有限公司 2016-06-29 CN disclosed