SCHEMBL7480868

SCHEMBL7480868

CC(=O)c1cccc(C(=O)c2c(-c3ccc(F)cc3)n[nH]c2N)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
GAA P10253 1/20 0.40
MAP2K4 P45985 5/20 0.39
FYN P06241 1/20 0.39
MAPK1 P28482 4/20 0.39
MAPK6 Q16659 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAP2K7 O14733 1/20 0.37
RAB9A P51151 1/20 0.37
DHFR P00374 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.36
HAO2 Q9NYQ3 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 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
SCHEMBL5762375 0.88 PBRM1 (0.44) GAAMAP2K4MAPK1MAPK6ALDH1A1
SCHEMBL7472841 0.86 HSD17B14 (0.44) MAP2K4MAPK1MAPK6HSD17B14
SCHEMBL7474871 0.85 MAP2K4 (0.39) MAP2K4MAPK1MAPK6ALDH1A1SMN1; SMN2
SCHEMBL7476723 0.85 PARP1 (0.40) GAAMAP2K4MAPK1MAPK6KMT2A
SCHEMBL7469135 0.85 PTPN1 (0.41) MAP2K4MAPK1MAPK6ALDH1A1SMN1; SMN2
SCHEMBL7473487 0.85 VNN1 (0.49) GAAMAP2K4KMT2ASMN1; SMN2KDM4E
SCHEMBL7476607 0.83 MAPK1 (0.38) MAP2K4MAPK1MAPK6ALDH1A1SMN1; SMN2
SCHEMBL7473920 0.82 KDM4E (0.40) MAP2K4MAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7477623 0.82 MAP2K4 (0.49) MAP2K4MAOBMAP2K7
SCHEMBL7483107 0.81 MAPT (0.47) GAAKMT2AALDH1A1SMN1; SMN2KDM4E

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