SCHEMBL2464418

SCHEMBL2464418

CN(C)C(=O)[C@H](O)c1ccc(NC2C=C(c3ccc(F)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)N(C)NC2=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
FLT3 P36888 1/20 0.34
ITK Q08881 1/20 0.34
DEGS1 O15121 1/20 0.33
BTK Q06187 5/20 0.33
MAPK14 Q16539 1/20 0.33
F10 P00742 7/20 0.32
TRPV1 Q8NER1 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CLK2 P49760 1/20 0.31

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
SCHEMBL2462892 1.00 PPARG (0.36) PPARGNR1H4KITSRCFLT3
SCHEMBL2461785 0.88 PPARG (0.38) PPARGNR1H4KITSRCFLT3
SCHEMBL2464013 0.85 BTK (0.38) DEGS1BTKF10NPC1ALDH1A1
SCHEMBL2462645 0.85 BTK (0.38) DEGS1BTKF10NPC1ALDH1A1
SCHEMBL9984564 0.78 BTK (0.41) PPARGNR1H4KITSRCFLT3
SCHEMBL9985165 0.78 BTK (0.41) PPARGNR1H4KITSRCFLT3
SCHEMBL2532115 0.78 BTK (0.41) PPARGNR1H4KITSRCFLT3
SCHEMBL9985142 0.68 BTK (0.48) SRCDEGS1BTKMAPK14CLK2
SCHEMBL9985729 0.68 BTK (0.48) SRCDEGS1BTKMAPK14CLK2
SCHEMBL2491394 0.68 BTK (0.48) SRCDEGS1BTKMAPK14CLK2

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-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed