SCHEMBL4564286

SCHEMBL4564286

CC(C)(C)N(C(=O)O)c1cc(-c2ccncc2N)nc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPBAR1 Q8TDU6 12/20 0.36
PPID Q08752 1/20 0.34
CHRNA7 P36544 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
TACR1 P25103 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL4439485 0.76 MAP4K1 (0.37) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL11907126 0.75 PIK3CA (0.42) KDM4EMAPTGPBAR1
SCHEMBL4445771 0.73 AAK1 (0.39) PPIDCFTR
SCHEMBL27796427 0.72 AAK1 (0.36) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15109612 0.67
SCHEMBL11984629 0.66 AOC1 (0.31)
SCHEMBL11978306 0.65
SCHEMBL4438213 0.65 PPID (0.32) KDM4EALDH1A1PPIDCHRNA7GLA
SCHEMBL4444719 0.62 PPID (0.36) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL565646 0.61 TDP1 (0.43) KDM4EALDH1A1MEN1KDM6BKDM4A

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