SCHEMBL7476789

SCHEMBL7476789

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.44
MAPK14 Q16539 4/20 0.43
PTPN1 P18031 2/20 0.43
NR4A2 P43354 1/20 0.43
GAK O14976 1/20 0.43
LCK P06239 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDGFRB P09619 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
EPHA5 P54756 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK1 P28482 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
PTGER2 P43116 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL7478461 0.88 HTT (0.44) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL7469535 0.88 MAPK14 (0.40) MAPK14NR4A2GAKLCKCYP3A4
SCHEMBL7471940 0.86 VNN1 (0.39) FABP4MAPK14PTPN1NR4A2GAK
SCHEMBL7473487 0.86 VNN1 (0.49) PKMMAPTSMN1; SMN2VNN1MEN1
SCHEMBL7472121 0.85 MAPK14 (0.57) MAPK14NR4A2GAKLCKCYP3A4
SCHEMBL7475255 0.85 MAPK14 (0.57) MAPK14NR4A2GAKLCKCYP3A4
SCHEMBL7476362 0.84 SYK (0.45) MAPK14PTPN1NR4A2LCKMRGPRX4
SCHEMBL7475939 0.83 FKBP1A (0.53) MAPK14HTTLMNAMAPTSMN1; SMN2
SCHEMBL5762375 0.82 PBRM1 (0.44) MAPK1HTTLMNAMAPTSMN1; SMN2
SCHEMBL7476793 0.81 MAPK1 (0.41) MAPK1VNN1

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