SCHEMBL28066917

SCHEMBL28066917

Nc1ncc(-c2ccc(N3CCOCC3)cc2)c(NCC2CCCO2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.58
SYK P43405 5/20 0.53
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
JAK2 O60674 2/20 0.49
SRC P12931 2/20 0.49
ALK Q9UM73 2/20 0.49
CHEK1 O14757 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
ROS1 P08922 1/20 0.49
FGFR1 P11362 1/20 0.49
TYK2 P29597 1/20 0.49
KDR P35968 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28066927 0.91 TNK2 (0.60) TNK2SYKKDM4EKMT2AALDH1A1
SCHEMBL28066957 0.91 TNK2 (0.60) TNK2SYKALDH1A1JAK2SRC
SCHEMBL28829103 0.82 TNK2 (0.53) TNK2KDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL28067024 0.76 L3MBTL1 (0.45) TNK2KDM4EKMT2AALDH1A1GAA
SCHEMBL16453373 0.73 TNK2 (1.00) TNK2JAK2SRCALKCHEK1
SCHEMBL16453372 0.73 TNK2 (1.00) TNK2JAK2SRCALKCHEK1
SCHEMBL16453367 0.73 TNK2 (1.00) TNK2JAK2SRCALKCHEK1
SCHEMBL1028839 0.73 DHFR (0.46)
SCHEMBL2558872 0.73 DHFR (0.60)
Hydrochloric Acid SCHEMBL17838919 0.73 TNK2 (0.98) TNK2JAK2SRCALKCHEK1

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
CN-105592850-A Inhibitors of ACK1/TNK2 tyrosine kinase H LEE MOFFITT CANCER CT &RES 2016-05-18 CN disclosed