SCHEMBL5779765

SCHEMBL5779765

CN(C)CCNC(=O)c1cccc(N[Pd])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.53
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CSNK2A1 P68400 1/20 0.48
USP2 O75604 1/20 0.47
AKR1C3 P42330 1/20 0.47
MAP4K4 O95819 1/20 0.47
TP53 P04637 1/20 0.47
FYN P06241 1/20 0.46
CAMK2D Q13557 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL24164529 0.87 LMNA (0.59) LMNAPKMCCNT1CCNE1CDK2
SCHEMBL24164421 0.84 LMNA (0.57) LMNAPKMCCNT1CCNE1CDK2
SCHEMBL26210939 0.81 SMN1; SMN2 (0.55) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL26210846 0.81 AOX1 (0.56) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL11996634 0.81 NPC1 (0.62) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL2747362 0.79 MAP4K4 (0.54) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL30222110 0.79 PKM (0.61) LMNAPKMCCNT1CCNE1CDK2
SCHEMBL24333218 0.79 ALDH1A1 (0.52) LMNAPKMALDH1A1MAPK1MEN1
SCHEMBL4661410 0.79 PKM (0.61) LMNAPKMCCNT1CCNE1CDK2
SCHEMBL13950380 0.79 TP53BP1 (0.60) LMNAPKMALDH1A1MAPK1MEN1

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-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed