SCHEMBL24255320

SCHEMBL24255320

COc1cc(C2CCN(I)CC2)ccc1Nc1ncc(Cl)c(NCC2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.63
ALK Q9UM73 3/20 0.54
JAK2 O60674 1/20 0.54
SRC P12931 1/20 0.54
TNK2 Q07912 1/20 0.54
INSR P06213 2/20 0.54
EGFR P00533 5/20 0.53
IGF1R P08069 1/20 0.53
MAP3K9 P80192 1/20 0.49
MKNK2 Q9HBH9 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
SCHEMBL24255322 0.93 LRRK2 (0.58) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255507 0.93 LRRK2 (0.64) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255315 0.88 ALK (0.67) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255227 0.85 LRRK2 (0.55) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255508 0.85 ALK (0.64) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255244 0.84 TNK2 (0.58) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255321 0.84 ALK (0.58) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255302 0.82 ALK (0.77) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255323 0.81 ALK (0.57) LRRK2ALKJAK2SRCTNK2
SCHEMBL24255319 0.79 ALK (0.64) LRRK2ALKJAK2SRCTNK2

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