SCHEMBL9342162

SCHEMBL9342162

N#CCCNC1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.35
JAK2 O60674 3/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
DPP4 P27487 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
SCHEMBL1190555 0.89
SCHEMBL5831087 0.89 JAK1 (0.39) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21089261 0.83 JAK1 (0.36) JAK1JAK2TYK2JAK3DPP4
SCHEMBL6977767 0.80
SCHEMBL2751529 0.80 SMN1; SMN2 (0.39) JAK1JAK2DPP4
SCHEMBL15014481 0.79 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21782065 0.79 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21781847 0.79 JAK1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL6160369 0.78 DPP4 (0.40) DPP4
SCHEMBL3167403 0.78 DPP4 (0.40) DPP4

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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-5344846-A Administering aminoalkylguanidine; antitumor agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-09-06 US disclosed
WO-1994015596-A1 COMPOSITIONS AND METHODS FOR INHIBITING DEOXYHYPUSINE SYNTHASE AND THE GROWTH OF CELLS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-07-21 WO disclosed