SCHEMBL4555787

SCHEMBL4555787

Cc1nc(NC(=O)OC(C)(C)C)cc(-c2ccncc2NCc2nc(Br)c(F)cc2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.36
ACVR1B P36896 2/20 0.36
ACVRL1 P37023 2/20 0.36
MAPKAPK2 P49137 4/20 0.34
AAK1 Q2M2I8 3/20 0.34
HDAC1 Q13547 1/20 0.33
PIM2 Q9P1W9 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP17A1 P05093 1/20 0.33
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 0.32
NAMPT P43490 1/20 0.32
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL4437161 0.86 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL4566008 0.80 MAPKAPK2 (0.36) TGFBR1ACVR1BACVRL1MAPKAPK2AAK1
SCHEMBL4555208 0.80 PIM2 (0.38) HDAC1PIM2PIM1PIM3PRKCB
SCHEMBL4445160 0.78 PIK3CA (0.39) TGFBR1ACVR1BACVRL1MAPKAPK2AAK1
SCHEMBL4444149 0.77 PIM2 (0.44) PIM2PIM1PIM3PIK3CA
SCHEMBL4434950 0.75 PIM2 (0.46) PIM2PIM1PIM3
SCHEMBL4565715 0.71 MAP4K4 (0.43) PIM2PIM1PIM3
SCHEMBL27796407 0.69 GAA (0.38) AAK1PIK3CALATS1LATS2NAMPT
SCHEMBL4445771 0.69 AAK1 (0.39) TGFBR1ACVR1BACVRL1MAPKAPK2AAK1
SCHEMBL4442417 0.68 PIM2 (0.44) AAK1PIM2PIM1PIM3

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