SCHEMBL24620360

SCHEMBL24620360

C=C(C)c1c(CC)cccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2CC(F)F)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.58
▸ INSR P06213 16/20 0.58
▸ IGF1R P08069 15/20 0.58
▸ EGFR P00533 4/20 0.54
▸ FGFR1 P11362 3/20 0.54
▸ FGFR2 P21802 3/20 0.54
▸ FGFR4 P22455 3/20 0.54
▸ FGFR3 P22607 3/20 0.54
▸ CHEK1 O14757 2/20 0.54
▸ AURKA O14965 2/20 0.54
▸ NUAK1 O60285 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ STK10 O94804 2/20 0.54
▸ PRKD3 O94806 2/20 0.54
▸ CHEK2 O96017 2/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ ERBB2 P04626 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ FES P07332 2/20 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
SCHEMBL24620186 0.92 ALK (0.51) ALKINSRIGF1REGFRFGFR1
SCHEMBL24620501 0.88 ALK (0.49) ALKINSRIGF1REGFRFGFR1
SCHEMBL24620620 0.83 ALK (0.57) ALKINSRIGF1REGFRFGFR1
SCHEMBL24620344 0.82 ALK (0.58) ALKINSRIGF1REGFRFGFR1
SCHEMBL24326984 0.81 ALK (0.60) ALKINSRIGF1REGFRFGFR1
SCHEMBL24327610 0.79 INSR (0.67) ALKINSRIGF1REGFRFGFR1
SCHEMBL24327483 0.79 ALK (0.58) ALKINSRIGF1REGFRFGFR1
SCHEMBL24327014 0.78 ALK (0.60) ALKINSRIGF1REGFRFGFR1
SCHEMBL24328351 0.78 ALK (0.59) ALKINSRIGF1REGFRFGFR1
SCHEMBL24327609 0.78 ALK (0.59) ALKINSRIGF1REGFRFGFR1

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-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO disclosed
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