SCHEMBL4238980

SCHEMBL4238980

CCOc1ccc(Oc2nc(C)ccc2OCC2CCCNC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.42
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40
CHEK2 O96017 1/20 0.38
KDM1A O60341 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CTSS P25774 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
ACP1 P24666 1/20 0.36
ACACB O00763 1/20 0.36
SYK P43405 1/20 0.36
KCNH2 Q12809 1/20 0.36
AURKB Q96GD4 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
SCHEMBL3324472 0.91 EED (0.43) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3324465 0.91 EED (0.43) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3328810 0.89 MAP2K1 (0.43) MAP2K1IKBKBCHUKSLC6A4KDM1A
SCHEMBL3324733 0.89 MAP2K1 (0.43) MAP2K1IKBKBCHUKSLC6A4KDM1A
SCHEMBL3323670 0.88 IKBKB (0.43) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3324255 0.88 IKBKB (0.43) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3325306 0.88 S1PR4 (0.45) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3325855 0.88 S1PR4 (0.45) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3325140 0.86 MAP2K1 (0.41) MAP2K1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL3325149 0.86 MAP2K1 (0.41) MAP2K1IKBKBCHUKSLC6A2SLC6A4

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-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed