SCHEMBL6257285

SCHEMBL6257285

Cc1nc(N2CCOCC2)ccc1-c1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.41
PIK3CA P42336 7/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
KDR P35968 5/20 0.40
CSF1R P07333 1/20 0.39
HIF1A Q16665 2/20 0.39
PIK3CG P48736 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SRC P12931 1/20 0.38
SYK P43405 1/20 0.38
GSK3A P49840 1/20 0.38
MAPK14 Q16539 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL5462710 0.82 PIK3CA (0.40) MTORPIK3CAKDM4EMEN1USP2
SCHEMBL4464429 0.82 PIK3CA (0.52) MTORPIK3CAKDM4EMEN1USP2
SCHEMBL4456006 0.80 MAPK1 (0.42) MTORPIK3CAKDM4EMEN1USP2
SCHEMBL7067699 0.79 CNR1 (0.47) MTORPIK3CAKDM4EMEN1USP2
SCHEMBL7189256 0.78 RAF1 (0.54) KDM4EGSK3A
SCHEMBL4085815 0.78 MAPK14 (0.58) MTORPIK3CAKDRHIF1ASRC
SCHEMBL7069390 0.77 EPHX2 (0.49) KDM4EALDH1A1GSK3A
SCHEMBL7064948 0.75 KDM4E (0.45) MTORPIK3CAKDM4EMEN1USP2
SCHEMBL7070212 0.74 MAPK14 (0.49) PIK3CAKDM4EMEN1USP2KMT2A
SCHEMBL28747223 0.72 CLK2 (0.49) KDM4EMEN1USP2KMT2AKDR

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-1530477-A1 COMBINATION THERAPY WITH p38 MAP KINASE INHIBITORS AND THEIR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-18 EP disclosed
WO-2004014387-A1 COMBINATION THERAPY WITH p38 MAP KINASE INHIBITORS AND THEIR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed