SCHEMBL24255318

SCHEMBL24255318

Fc1cc(Nc2ncc(Cl)c(NCC3COC3)n2)ccc1N1CCN(I)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
TNK2 Q07912 5/20 0.51
JAK3 P52333 3/20 0.51
BRD4 O60885 4/20 0.47
EGFR P00533 1/20 0.46
NTRK1 P04629 2/20 0.45
AXL P30530 1/20 0.45
SYK P43405 1/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 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
BTK Q06187 1/20 0.44
PAK1 Q13153 1/20 0.44

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
SCHEMBL24255243 0.91 MAPK9 (0.55) MAPK9MAPK10TNK2JAK3BRD4
SCHEMBL26270099 0.91 TNK2 (0.61) MAPK9MAPK10TNK2JAK3BRD4
SCHEMBL24255317 0.86 TNK2 (0.60) MAPK9MAPK10TNK2JAK3NTRK1
SCHEMBL24255314 0.85 TNK2 (0.47) TNK2JAK3NTRK1CHEK1JAK2
SCHEMBL24255326 0.83 TNK2 (0.64) MAPK9MAPK10TNK2JAK3BRD4
SCHEMBL24255313 0.79 TNK2 (0.57) TNK2NTRK1AXLCHEK1JAK2
SCHEMBL24255516 0.78 TNK2 (0.52) TNK2JAK3NTRK1CHEK1JAK2
SCHEMBL24255247 0.78 TNK2 (0.65) MAPK9MAPK10TNK2JAK3NTRK1
SCHEMBL24255246 0.78 TNK2 (0.51) MAPK9MAPK10TNK2JAK3NTRK1
SCHEMBL26270096 0.77 TNK2 (0.70) MAPK9TNK2JAK3BRD4EGFR

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