SCHEMBL24620307

SCHEMBL24620307

CC(F)Oc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)NC3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.51
▸ ALK Q9UM73 13/20 0.49
▸ PLK1 P53350 2/20 0.49
▸ INSR P06213 5/20 0.48
▸ IGF1R P08069 4/20 0.48
▸ EGFR P00533 4/20 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
▸ 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

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
SCHEMBL27175302 0.96 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL29791375 0.96 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL30833015 0.91 ALK (0.56) PTK2ALKPLK1INSRIGF1R
SCHEMBL24620633 0.91 ALK (0.56) PTK2ALKPLK1INSRIGF1R
SCHEMBL29791543 0.89 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL24620237 0.89 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL24620572 0.88 ALK (0.54) ALKPLK1INSRIGF1REGFR
SCHEMBL29791431 0.88 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL24620213 0.88 ALK (0.54) PTK2ALKPLK1INSRIGF1R
SCHEMBL29791402 0.88 ALK (0.54) ALKPLK1INSRIGF1REGFR

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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