SCHEMBL24255317

SCHEMBL24255317

Clc1cnc(Nc2ccc(N3CCN(I)CC3)cc2)nc1NCC1COC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.60
ALK Q9UM73 4/20 0.58
JAK2 O60674 2/20 0.58
LCK P06239 2/20 0.58
FGFR1 P11362 2/20 0.58
CHEK1 O14757 1/20 0.58
ABL1 P00519 1/20 0.58
ROS1 P08922 1/20 0.58
SRC P12931 1/20 0.58
TYK2 P29597 1/20 0.58
NTRK1 P04629 4/20 0.52
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
JAK3 P52333 2/20 0.49
LRRK2 Q5S007 2/20 0.49
CDK9 P50750 2/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49

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
SCHEMBL24255247 0.91 TNK2 (0.65) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255313 0.86 TNK2 (0.57) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255318 0.86 MAPK9 (0.52) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255319 0.84 ALK (0.64) TNK2ALKJAK2SRCLRRK2
SCHEMBL24255222 0.81 TNK2 (0.75) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255314 0.80 TNK2 (0.47) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255244 0.80 TNK2 (0.58) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255243 0.79 MAPK9 (0.55) TNK2ALKJAK2LCKFGFR1
SCHEMBL18488173 0.79 TNK2 (0.75) TNK2ALKJAK2LCKFGFR1
SCHEMBL24255245 0.78 NTRK1 (0.66) ALKJAK2NTRK1STK17BSTK17A

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