SCHEMBL2187360

SCHEMBL2187360

O=C(Nc1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1)c1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.47
NPSR1 Q6W5P4 6/20 0.45
NOD2 Q9HC29 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42
MAPT P10636 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL2187098 0.83 CSNK1E (0.51) CSNK1ECSNK1DCSNK1G3NPSR1SMN1; SMN2
SCHEMBL2187121 0.82 CSNK1E (0.48) CSNK1ECSNK1DCSNK1G3KMT2AALDH1A1
SCHEMBL15541991 0.80 CSNK1E (0.60) CSNK1ECSNK1DCSNK1G3MEN1KMT2A
SCHEMBL2188423 0.80 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3NPSR1MEN1
SCHEMBL2188622 0.80 CSNK1E (0.53) CSNK1ECSNK1DCSNK1G3TP53SMN1; SMN2
SCHEMBL420828 0.77 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3MEN1KMT2A
SCHEMBL27698601 0.76 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3SMN1; SMN2CNR2
SCHEMBL15541229 0.73 SMN1; SMN2 (0.64) CSNK1ECSNK1DCSNK1G3NPSR1MEN1
SCHEMBL2188562 0.71 LMNA (0.67) NPSR1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2187471 0.70 CSNK1E (0.57) CSNK1ECSNK1DCSNK1G3NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed
CN-101405278-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-04-08 CN disclosed
CN-101233119-A Novel heterocyclic nf-kb inhibitors 4SC AG (DE) 2008-07-30 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed