SCHEMBL7471940

SCHEMBL7471940

CC(C)(C)OC(=O)COc1cccc(C(=O)c2c(-c3ccc(F)cc3)n[nH]c2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 4/20 0.38
GAK O14976 1/20 0.38
LCK P06239 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDGFRB P09619 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
EPHA5 P54756 1/20 0.38
MAPK11 Q15759 1/20 0.38
NR4A2 P43354 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
FABP4 P15090 2/20 0.35

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
SCHEMBL7476789 0.86 FABP4 (0.44) VNN1MAOBMEN1ALDH1A1HPGD
SCHEMBL7478461 0.85 HTT (0.44) VNN1MAOBKMT2AMAPK14GAK
SCHEMBL7473487 0.83 VNN1 (0.49) VNN1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL7469535 0.82 MAPK14 (0.40) VNN1MAOBKMT2AMAPK14GAK
SCHEMBL7472121 0.80 MAPK14 (0.57) VNN1MAOBMAPK14GAKLCK
SCHEMBL7475255 0.80 MAPK14 (0.57) VNN1MAOBMAPK14GAKLCK
SCHEMBL7476362 0.79 SYK (0.45) MAOBMAPK14LCKNR4A2MRGPRX4
SCHEMBL7475939 0.78 FKBP1A (0.53) ALDH1A1HPGDMAPK14SMN1; SMN2LMNA
SCHEMBL7476793 0.78 MAPK1 (0.41) VNN1MAP2K4
SCHEMBL7473151 0.78 MAPK14 (0.39) VNN1MAOBMAPK14GAKLCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed