SCHEMBL7472121

SCHEMBL7472121

Nc1[nH]nc(-c2ccc(F)cc2)c1C(=O)c1cccc(OCC(O)CO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.57
GAK O14976 1/20 0.57
LCK P06239 1/20 0.57
CYP3A4 P08684 1/20 0.57
PDGFRB P09619 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK9 P45984 1/20 0.57
MAPK10 P53779 1/20 0.57
EPHA5 P54756 1/20 0.57
MAPK11 Q15759 1/20 0.57
ABCB1 P08183 11/20 0.46
PIK3CG P48736 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
VNN1 O95497 1/20 0.37
NR4A2 P43354 1/20 0.37
MAOB P27338 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL7475255 1.00 MAPK14 (0.57) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7476789 0.85 FABP4 (0.44) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7469535 0.83 MAPK14 (0.40) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7473151 0.82 MAPK14 (0.39) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7478461 0.82 HTT (0.44) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7473487 0.81 VNN1 (0.49) VNN1
SCHEMBL7481490 0.81 MAPK14 (0.38) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7476063 0.81 VNN1 (0.39) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7471940 0.80 VNN1 (0.39) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7476362 0.80 SYK (0.45) MAPK14LCKNR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP claimed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO claimed
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