SCHEMBL24255243

SCHEMBL24255243

Fc1cc(Nc2ncc(Cl)c(NCC3CCOCC3)n2)ccc1N1CCN(I)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
TNK2 Q07912 7/20 0.53
JAK3 P52333 2/20 0.53
CHEK1 O14757 1/20 0.49
JAK2 O60674 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
SRC P12931 1/20 0.49
TYK2 P29597 1/20 0.49
ALK Q9UM73 1/20 0.49
NTRK1 P04629 2/20 0.48
EGFR P00533 1/20 0.46
BTK Q06187 1/20 0.46
BRD4 O60885 1/20 0.46
SYK P43405 3/20 0.46
LRRK2 Q5S007 2/20 0.45

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
SCHEMBL24255326 0.92 TNK2 (0.64) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL24255318 0.91 MAPK9 (0.52) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL24255247 0.88 TNK2 (0.65) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL24255246 0.86 TNK2 (0.51) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL26270099 0.83 TNK2 (0.61) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL24255244 0.81 TNK2 (0.58) TNK2JAK3CHEK1JAK2ABL1
SCHEMBL24255328 0.80 TNK2 (0.55) TNK2CHEK1JAK2ABL1LCK
SCHEMBL24255317 0.79 TNK2 (0.60) MAPK9MAPK10TNK2JAK3CHEK1
SCHEMBL24258122 0.79 LRRK2 (0.53) MAPK9MAPK10TNK2CHEK1JAK2
SCHEMBL24255314 0.79 TNK2 (0.47) TNK2JAK3CHEK1JAK2ABL1

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