SCHEMBL4439485

SCHEMBL4439485

Nc1cnccc1-c1cc(NC(=O)O)nc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPID Q08752 1/20 0.35
XPO1 O14980 1/20 0.34

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
SCHEMBL4445771 0.85 AAK1 (0.39) MAP4K1PPID
SCHEMBL27796427 0.79 AAK1 (0.36) MAP4K1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11907126 0.78 PIK3CA (0.42) KDM4EMAPT
SCHEMBL4564286 0.76 KDM4E (0.36) KDM4EMEN1KDM6BKDM4AALDH1A1
SCHEMBL4563956 0.76 GSK3A (0.42) ALDH1A1MAPT
SCHEMBL4445160 0.71 PIK3CA (0.39) MAP4K1KDM4EALDH1A1PPID
SCHEMBL11984629 0.68 AOC1 (0.31)
SCHEMBL11978306 0.68
SCHEMBL15109612 0.68
SCHEMBL11984613 0.67 PIM2 (0.64)

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