SCHEMBL24620386

SCHEMBL24620386

C=C1NCc2cccc(Nc3nc(Nc4ccc(N5CCC(N6CCN(C(C)(C)C)CC6)CC5)cc4CC(F)F)ncc3C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.43
▸ ALK Q9UM73 15/20 0.42
▸ INSR P06213 6/20 0.42
▸ IGF1R P08069 5/20 0.42
▸ EGFR P00533 3/20 0.42
▸ FGFR1 P11362 3/20 0.41
▸ FGFR2 P21802 2/20 0.41
▸ FGFR4 P22455 2/20 0.41
▸ FGFR3 P22607 2/20 0.41
▸ ULK1 O75385 2/20 0.41
▸ BMPR1B O00238 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ STK25 O00506 1/20 0.41
▸ RIOK3 O14730 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ CASK O14936 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ MUSK O15146 1/20 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
SCHEMBL24620309 0.93 PLK1 (0.44) PLK1ALKINSRIGF1REGFR
SCHEMBL24620277 0.93 PTK2 (0.44) PLK1ALKINSRIGF1REGFR
SCHEMBL24620371 0.87 EGFR (0.45) PLK1ALKINSRIGF1REGFR
SCHEMBL24620344 0.86 ALK (0.58) PLK1ALKINSRIGF1REGFR
SCHEMBL24620265 0.86 ALK (0.54) ALKEGFRULK1FLT4PTK2
SCHEMBL24620237 0.82 ALK (0.54) PLK1ALKINSRIGF1REGFR
SCHEMBL29791543 0.82 ALK (0.54) PLK1ALKINSRIGF1REGFR
SCHEMBL24620574 0.81 ULK1 (0.42) ALKIGF1RULK1CDK1MAPK3
SCHEMBL24620620 0.79 ALK (0.57) PLK1ALKINSRIGF1REGFR
SCHEMBL24620186 0.78 ALK (0.51) PLK1ALKINSRIGF1REGFR

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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