SCHEMBL4436845

SCHEMBL4436845

Cc1ccc(N)c(N2CCN(C(C)(C)C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.46
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
S100B P04271 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LGMN Q99538 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4442551 0.87 MAPT (0.46) MAPTHTTGAAKDM4EPTK2B
SCHEMBL426323 0.81 MAPT (0.69) MAPTHTTGAAMAPK1KDM4E
SCHEMBL1339913 0.80 MAPT (0.61) MAPTHTTGAAMAPK1KDM4E
SCHEMBL20495516 0.80 ALDH1A1 (0.49) MAPTHTTGAAMAPK1KDM4E
SCHEMBL1339840 0.79 ALDH1A1 (0.65) MAPTHTTGAAMAPK1KDM4E
SCHEMBL28327047 0.77 ADRA2C (0.65) MAPTHTTGAAMAPK1KDM4E
SCHEMBL20166340 0.76 LGMN (0.67) MAPTHTTGAAMAPK1KDM4E
SCHEMBL4566835 0.75 SMARCA2 (0.54) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL11299409 0.73 MAPT (0.65) MAPTHTTGAAMAPK1KDM4E
SCHEMBL15922883 0.72 MAPT (0.49) MAPTHTTGAAMAPK1KDM4E

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed