SCHEMBL1663867

SCHEMBL1663867

O=C(Nc1ccc(-n2cnc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ATM Q13315 1/20 0.49
JAK2 O60674 2/20 0.48
JAK3 P52333 1/20 0.48
MAPT P10636 6/20 0.48
GSK3B P49841 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
MAPK14 Q16539 1/20 0.47
EPHX2 P34913 1/20 0.46
GBA1 P04062 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TBK1 Q9UHD2 1/20 0.46
PDPK1 O15530 1/20 0.45

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
SCHEMBL8773480 0.90 ALDH1A1 (0.54) ALDH1A1ATMMAPTGSK3BSMN1; SMN2
SCHEMBL6129016 0.81 NPC1 (0.47) ALDH1A1MAPTPIK3C3MAPK14SMN1; SMN2
SCHEMBL13305064 0.75 RAB9A (0.67) ALDH1A1MAPTPIK3C3SMN1; SMN2RAB9A
SCHEMBL1663874 0.74 WEE1 (0.46) ALDH1A1JAK2JAK3MAPTSMN1; SMN2
SCHEMBL13973218 0.74 ALDH1A1 (0.72) ALDH1A1ATMMAPTEPHX2SMN1; SMN2
SCHEMBL2339163 0.73 FGFR1 (0.67) ALDH1A1RAB9A
SCHEMBL1664810 0.72 TNIK (0.43) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8772494 0.72 ALDH1A1 (0.69) ALDH1A1ATMMAPTSMN1; SMN2RAB9A
SCHEMBL2092723 0.72 TP53 (0.61) ALDH1A1MAPTGSK3BSMN1; SMN2RAB9A
SCHEMBL2339303 0.72 FGFR1 (0.69) ALDH1A1MAPTGSK3BRAB9ANPC1

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-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed