SCHEMBL4566008

SCHEMBL4566008

CC(C)(C)OC(=O)Nc1cc(-c2ccncc2NCc2nc(Br)ccc2N)nc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.36
AAK1 Q2M2I8 4/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR1 P36897 2/20 0.33
ACVRL1 P37023 2/20 0.33
HDAC1 Q13547 1/20 0.32
LATS1 O95835 2/20 0.32
NAMPT P43490 1/20 0.32
PIM2 Q9P1W9 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL4442417 0.86 PIM2 (0.44) AAK1PIM2PIM1PIM3
SCHEMBL4445771 0.81 AAK1 (0.39) MAPKAPK2AAK1ACVR1BTGFBR1ACVRL1
SCHEMBL4555787 0.80 TGFBR1 (0.36) MAPKAPK2AAK1ACVR1BTGFBR1ACVRL1
SCHEMBL4433849 0.79 IRAK4 (0.40) ACVR1BTGFBR1ACVRL1NAMPTPIM2
SCHEMBL4444149 0.75 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL4434968 0.74 AKT1 (0.39) ACVR1BTGFBR1ACVRL1NAMPTGPBAR1
SCHEMBL27796427 0.72 AAK1 (0.36) AAK1ACVR1BTGFBR1ACVRL1LATS1
SCHEMBL4445160 0.69 PIK3CA (0.39) MAPKAPK2AAK1ACVR1BTGFBR1ACVRL1
SCHEMBL4437161 0.68 PIM2 (0.44) PIM2PIM1PIM3
SCHEMBL4439485 0.68 MAP4K1 (0.37)

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