SCHEMBL5087859

SCHEMBL5087859

NC(=O)C1(Cc2ccccc2)CCCN1c1ncnc(NCc2ccccc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.40
RPS6KB1 P23443 6/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.38
TMIGD3 P0DMS9 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
EGFR P00533 1/20 0.36
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
ERBB2 P04626 1/20 0.36
KDR P35968 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL5144352 0.78 PIK3CB (0.52) SMN1; SMN2FAAH
SCHEMBL5026869 0.73 LMNA (0.48) HTTLMNASMN1; SMN2EGFRGAA
SCHEMBL27741345 0.70 PIK3CB (0.56) HTTLMNASMN1; SMN2GAA
SCHEMBL5087854 0.69 AADAT (0.54)
SCHEMBL15112017 0.68 FAAH (0.44) FAAH
SCHEMBL9288430 0.65
SCHEMBL28506600 0.64
SCHEMBL28506603 0.64
SCHEMBL5025315 0.64 HUWE1 (0.49) HTTLMNASMN1; SMN2EGFRGAA
SCHEMBL9286326 0.63

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-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed