Sugi Predict

Sugi Predict / Compounds / SCHEMBL23764799

SCHEMBL23764799

SCHEMBL23764799

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCNC3)ncc1CC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.61
▸ ALK Q9UM73 13/20 0.61
▸ PTK2 Q05397 1/20 0.53
▸ INSR P06213 3/20 0.53
▸ PKMYT1 Q99640 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ ULK1 O75385 2/20 0.48

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
SCHEMBL23754864 0.88 MET (0.64) METALKPTK2INSRULK1
SCHEMBL30086189 0.88 MET (0.64) METALKPTK2INSRULK1
SCHEMBL23764773 0.88 MET (0.67) METALKPTK2INSRPKMYT1
SCHEMBL23754872 0.85 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL30086179 0.85 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL23764832 0.84 MET (0.67) METALKINSRPKMYT1MAPK8
SCHEMBL30086206 0.82 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL23754821 0.82 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL886191 0.80 MET (0.79) METALKPTK2INSRPKMYT1
SCHEMBL886100 0.77 MET (0.78) METALKPTK2INSRPKMYT1

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-2021163629-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 — — WO disclosed