SCHEMBL24255314

SCHEMBL24255314

Fc1cc(Nc2ncc(Cl)c(NCC3COC3)n2)ccc1C1CCN(I)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.47
NTRK1 P04629 4/20 0.45
JAK2 O60674 2/20 0.44
CHEK1 O14757 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
ROS1 P08922 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
TYK2 P29597 1/20 0.44
ALK Q9UM73 1/20 0.44
STK17B O94768 3/20 0.43
STK17A Q9UEE5 3/20 0.43
JAK3 P52333 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PRKCQ Q04759 1/20 0.41

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
SCHEMBL24255246 0.92 TNK2 (0.51) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255516 0.91 TNK2 (0.52) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255313 0.86 TNK2 (0.57) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255318 0.85 MAPK9 (0.52) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255328 0.84 TNK2 (0.55) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255317 0.80 TNK2 (0.60) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255243 0.79 MAPK9 (0.55) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL26270099 0.78 TNK2 (0.61) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL24255244 0.78 TNK2 (0.58) TNK2NTRK1JAK2CHEK1ABL1
SCHEMBL26270103 0.77 TNK2 (0.58) TNK2NTRK1JAK2CHEK1ABL1

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-2022036312-A2 INHIBITORS OF ACK1/TNK1 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-02-17 WO disclosed