SCHEMBL24258115

SCHEMBL24258115

COc1cc(N2CCN(I)CC2)ccc1Nc1ncc(Cl)c(N[C@H](C)C2CCOCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.66
INSR P06213 6/20 0.66
LRRK2 Q5S007 3/20 0.64
IGF1R P08069 2/20 0.55
EGFR P00533 2/20 0.55
ZAP70 P43403 1/20 0.55
JAK2 O60674 2/20 0.54
TNK2 Q07912 2/20 0.54
MAPK8 P45983 2/20 0.54
MAPK9 P45984 2/20 0.54
MAPK10 P53779 2/20 0.54
SRC P12931 1/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
PDPK1 O15530 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54

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
SCHEMBL24258116 0.93 ALK (0.66) ALKINSRLRRK2IGF1REGFR
SCHEMBL24258141 0.93 ALK (0.67) ALKINSRLRRK2IGF1REGFR
SCHEMBL24258110 0.93 ALK (0.67) ALKINSRLRRK2IGF1REGFR
SCHEMBL26361771 0.87 ALK (0.66) ALKINSRLRRK2IGF1REGFR
SCHEMBL26361415 0.87 ALK (0.66) ALKINSRLRRK2IGF1REGFR
SCHEMBL24255315 0.84 ALK (0.67) ALKINSRLRRK2IGF1REGFR
SCHEMBL26361392 0.82 ALK (0.64) ALKINSRLRRK2IGF1REGFR
SCHEMBL24255323 0.82 ALK (0.57) ALKINSRLRRK2IGF1REGFR
SCHEMBL24258140 0.82 ALK (0.60) ALKINSRLRRK2IGF1REGFR
SCHEMBL26361406 0.82 ALK (0.60) ALKINSRLRRK2IGF1REGFR

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-2022036310-A2 INHIBITORS OF ACK1/TNK1 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-02-17 WO disclosed