SCHEMBL28826010

SCHEMBL28826010

N#CCCn1cc(N)cn1.N#CCCn1cc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
JAK2 O60674 12/20 0.40
JAK1 P23458 11/20 0.40
TYK2 P29597 10/20 0.40
STAT3 P40763 10/20 0.40
JAK3 P52333 10/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.38
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
GSK3B P49841 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALOX5AP P20292 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM5A P29375 1/20 0.35

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
SCHEMBL1662812 1.00 MAPT (0.41) MAPTLMNAJAK2JAK1TYK2
SCHEMBL28052722 0.89 JAK2 (0.40) MAPTLMNAJAK2JAK1TYK2
SCHEMBL1662461 0.89 JAK2 (0.40) MAPTLMNAJAK2JAK1TYK2
SCHEMBL612055 0.80
SCHEMBL23022153 0.77 JAK2 (0.38) MAPTLMNAJAK2JAK1TYK2
SCHEMBL14964510 0.77 JAK2 (0.46) MAPTLMNAJAK2JAK1TYK2
SCHEMBL19976137 0.77 ALDH1A1 (0.41) LMNAJAK2JAK1TYK2STAT3
SCHEMBL27869430 0.75
SCHEMBL23875201 0.75
SCHEMBL13826264 0.75

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-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed