SCHEMBL14222350

SCHEMBL14222350

CBc1ccc(C)c(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccc(OCCN4CCCC4)cc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
ACHE P22303 4/20 0.41
KDR P35968 2/20 0.41
CHEK2 O96017 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PIR O00625 1/20 0.39
BRAF P15056 1/20 0.39
GSK3B P49841 1/20 0.39
HSF1 Q00613 1/20 0.39
GAA P10253 2/20 0.38
FLT3 P36888 2/20 0.38
PDGFRB P09619 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL215366 0.91 LMNA (0.43) LMNAMAPK1HIF1AACHEKDR
SCHEMBL215871 0.88 LMNA (0.43) LMNAMAPK1HIF1AACHEKDR
SCHEMBL3327359 0.88 LMNA (0.43) LMNAMAPK1HIF1AACHEKDR
SCHEMBL216395 0.85 ACHE (0.47) LMNAMAPK1HIF1AACHEKDR
SCHEMBL14222351 0.85 ACHE (0.47) LMNAMAPK1HIF1AACHEKDR
SCHEMBL215460 0.82 LMNA (0.46) LMNAMAPK1HIF1AACHEKDR
SCHEMBL214860 0.81 LMNA (0.45) LMNAMAPK1HIF1AACHEKDR
SCHEMBL216099 0.81 MAPT (0.39) LMNAMAPK1HIF1AKDRALDH1A1
SCHEMBL213924 0.81 ALDH1A1 (0.40) LMNACHEK2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL213711 0.81 ALDH1A1 (0.38) LMNAMAPK1HIF1AKDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed