Methylpiperazine

Methylpiperazine

SCHEMBL7141852

CN1CCN(CC(=O)N2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1.CN1CCNCC1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.66
NUDT14 O95848 2/20 0.62
NUDT5 Q9UKK9 2/20 0.62
LCK P06239 3/20 0.61
SRC P12931 2/20 0.61
KDR P35968 2/20 0.61
TEK Q02763 1/20 0.61
FLT3 P36888 2/20 0.61
KIT P10721 1/20 0.61
EGFR P00533 4/20 0.58
ITK Q08881 3/20 0.58
TEC P42680 3/20 0.57
BMX P51813 3/20 0.57
TXK P42681 2/20 0.57
LYN P07948 2/20 0.57
FGFR2 P21802 2/20 0.57
RIPK2 O43353 1/20 0.57
NR1I2 O75469 1/20 0.57
SLC22A3 O75751 1/20 0.57
LATS1 O95835 1/20 0.57

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
SCHEMBL6433637 0.95 BTK (0.68) BTKNUDT14NUDT5LCKSRC
Methylpiperazine SCHEMBL7136284 0.92 BTK (0.67) BTKNUDT14NUDT5LCKSRC
SCHEMBL17951588 0.89 BTK (0.79) BTKNUDT14NUDT5LCKSRC
SCHEMBL19638288 0.89 BTK (0.75) BTKNUDT14NUDT5LCKSRC
Morpholine SCHEMBL7141268 0.88 BTK (0.65) BTKNUDT14NUDT5LCKSRC
SCHEMBL7046498 0.88 BTK (0.66) BTKNUDT14NUDT5LCKSRC
SCHEMBL7138251 0.88 BTK (0.65) BTKNUDT14NUDT5LCKSRC
Acetic Acid SCHEMBL6433244 0.87 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL6430327 0.86 BTK (0.68) BTKNUDT14NUDT5LCKSRC
Hydrochloric Acid SCHEMBL28719796 0.86 BTK (0.68) BTKNUDT14NUDT5LCKFLT3

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
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed