SCHEMBL20912342

SCHEMBL20912342

CN(C)CCC(=O)Nc1cccc(-c2cn(C3C=CC=CC3)c3nc[nH]c(=O)c23)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
HPGDS O60760 1/20 0.37
EGFR P00533 2/20 0.36
TERT O14746 7/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK2 P24941 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
KISS1R Q969F8 1/20 0.34
SRC P12931 1/20 0.33

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
SCHEMBL22604367 0.80 SRC (0.57) HPGDSEGFRTERTLMNAMAPT
SCHEMBL20912266 0.71 SRC (0.59) PARP1EGFRLMNAMAPTKMT2A
SCHEMBL22604421 0.67 SRC (0.67) EGFRLMNAMAPTKMT2ACDK2
SCHEMBL20912043 0.67 PDPK1 (0.34) PARP1
SCHEMBL20911666 0.65 SRC (0.66) LMNAMAPTKMT2ACDK2SRC
SCHEMBL20912035 0.64 FYN (0.42) EGFRLMNAMAPTKMT2ASRC
SCHEMBL13284736 0.63 BACE1 (0.42) KMT2A
SCHEMBL22604454 0.62 MAP4K4 (0.42) PARP1EGFRLMNAMAPTKMT2A
SCHEMBL20912264 0.62 SRC (0.58) LMNAMAPTKMT2ASRC
SCHEMBL15607399 0.60 ALK (0.60)

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-2019073253-A1 MAP4K4 INHIBITORS IMPERIAL INNOVATIONS LIMITED (GB) 2019-04-18 WO disclosed