SCHEMBL24620186

SCHEMBL24620186

C=C(C)c1c(CC)cccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2CC(F)F)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.51
▸ INSR P06213 12/20 0.49
▸ IGF1R P08069 12/20 0.49
▸ PLK1 P53350 3/20 0.48
▸ EGFR P00533 4/20 0.46
▸ CHEK1 O14757 2/20 0.46
▸ AURKA O14965 2/20 0.46
▸ NUAK1 O60285 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ STK10 O94804 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ CHEK2 O96017 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ ERBB2 P04626 2/20 0.46
▸ LCK P06239 2/20 0.46
▸ FYN P06241 2/20 0.46
▸ FES P07332 2/20 0.46
▸ CSF1R P07333 2/20 0.46
▸ YES1 P07947 2/20 0.46
▸ LYN P07948 2/20 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
SCHEMBL24620501 0.95 ALK (0.49) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620360 0.92 ALK (0.58) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620371 0.80 EGFR (0.45) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620309 0.79 PLK1 (0.44) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620277 0.78 PTK2 (0.44) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620386 0.78 PLK1 (0.43) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620620 0.76 ALK (0.57) ALKINSRIGF1RPLK1EGFR
SCHEMBL24620344 0.75 ALK (0.58) ALKINSRIGF1RPLK1EGFR
SCHEMBL24326984 0.74 ALK (0.60) ALKINSRIGF1RPLK1EGFR
SCHEMBL30833015 0.72 ALK (0.56) ALKINSRIGF1RPLK1EGFR

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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