SCHEMBL24255313

SCHEMBL24255313

Clc1cnc(Nc2ccc(C3CCN(I)CC3)cc2)nc1NCC1COC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.57
STK17A Q9UEE5 4/20 0.51
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
LRRK2 Q5S007 3/20 0.43
NTRK1 P04629 1/20 0.42
STAT6 P42226 1/20 0.42
AXL P30530 1/20 0.41
STK17B O94768 2/20 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
SCHEMBL24255244 0.91 TNK2 (0.58) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL26270103 0.90 TNK2 (0.58) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL24255317 0.86 TNK2 (0.60) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL24255314 0.86 TNK2 (0.47) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL24255322 0.84 LRRK2 (0.58) TNK2JAK2SRCALKLRRK2
SCHEMBL24255327 0.82 TNK2 (0.62) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL24255247 0.80 TNK2 (0.65) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL24255318 0.79 MAPK9 (0.52) TNK2STK17ACHEK1JAK2ABL1
SCHEMBL26270096 0.78 TNK2 (0.70) TNK2CHEK1JAK2ABL1LCK
SCHEMBL24255246 0.78 TNK2 (0.51) TNK2STK17ACHEK1JAK2ABL1

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