SCHEMBL24620596

SCHEMBL24620596

CCc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCN(C(C)(C)C)CC5)CC4)cc3OC(F)F)ncc2C(F)(F)F)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.55
▸ EGFR P00533 5/20 0.50
▸ PLK1 P53350 2/20 0.50
▸ INSR P06213 5/20 0.48
▸ FGFR1 P11362 3/20 0.48
▸ FGFR2 P21802 2/20 0.48
▸ FGFR4 P22455 2/20 0.48
▸ FGFR3 P22607 2/20 0.48
▸ IGF1R P08069 4/20 0.47
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ STK25 O00506 1/20 0.46
▸ RIOK3 O14730 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ CASK O14936 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ MUSK O15146 1/20 0.46
▸ EPHB6 O15197 1/20 0.46

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
SCHEMBL24620237 0.83 ALK (0.54) ALKEGFRPLK1INSRFGFR1
SCHEMBL29791543 0.83 ALK (0.54) ALKEGFRPLK1INSRFGFR1
SCHEMBL24620232 0.82 ALK (0.62) ALKEGFRMAPK3FLT4PTK2
SCHEMBL30757898 0.81 PLK1 (0.67) ALKEGFRPLK1INSRFGFR1
SCHEMBL27039223 0.81 PLK1 (0.67) ALKEGFRPLK1INSRFGFR1
SCHEMBL29791436 0.79 ALK (0.49) ALKEGFRPLK1INSRFGFR1
SCHEMBL24620572 0.78 ALK (0.54) ALKEGFRPLK1INSRFGFR1
SCHEMBL29791402 0.78 ALK (0.54) ALKEGFRPLK1INSRFGFR1
SCHEMBL24620633 0.77 ALK (0.56) ALKEGFRPLK1INSRFGFR1
SCHEMBL30833015 0.77 ALK (0.56) ALKEGFRPLK1INSRFGFR1

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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