SCHEMBL169477

SCHEMBL169477

CN(C)OCc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.49
JAK1 P23458 3/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
BCL9 O00512 6/20 0.45
CTNNB1 P35222 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PRMT5 O14744 1/20 0.44
CYP2C19 P33261 1/20 0.43
PDE4B Q07343 1/20 0.43
MAPK1 P28482 1/20 0.43
GRIN2B Q13224 2/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL13490610 0.86 BCL9 (0.52) JAK2JAK1TYK2JAK3BCL9
SCHEMBL13490607 0.85 JAK2 (0.48) JAK2JAK1TYK2JAK3BCL9
SCHEMBL13490731 0.83 ALDH1A1 (0.47) SMN1; SMN2CYP2C19
SCHEMBL13490730 0.82 JAK2 (0.50) JAK2JAK1TYK2JAK3BCL9
SCHEMBL171665 0.82 JAK2 (0.52) JAK2JAK1TYK2JAK3BCL9
SCHEMBL14544157 0.82 JAK2 (0.50) JAK2JAK1TYK2JAK3BCL9
SCHEMBL13490506 0.81 JAK2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL171606 0.80 JAK2 (0.49) JAK2JAK1TYK2JAK3BCL9
SCHEMBL13490606 0.79 JAK2 (0.46) JAK2JAK1TYK2JAK3BCL9
SCHEMBL19405091 0.79 SMN1; SMN2 (0.52) JAK2JAK1TYK2JAK3SMN1; SMN2

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
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed