SCHEMBL23764773

SCHEMBL23764773

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCNC3)ncc1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.67
ALK Q9UM73 12/20 0.67
PKMYT1 Q99640 1/20 0.59
INSR P06213 3/20 0.56
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
AURKA O14965 1/20 0.52
ULK1 O75385 1/20 0.51
BTK Q06187 1/20 0.51
PTK2 Q05397 1/20 0.50

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
SCHEMBL23764832 0.96 MET (0.67) METALKPKMYT1INSRMAPK8
SCHEMBL30086179 0.90 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL23754872 0.90 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL23754864 0.88 MET (0.64) METALKINSRULK1PTK2
SCHEMBL30086189 0.88 MET (0.64) METALKINSRULK1PTK2
SCHEMBL23764799 0.88 MET (0.61) METALKPKMYT1INSRMAPK8
SCHEMBL30086206 0.87 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL23754821 0.87 MET (0.66) METALKINSRMAPK8MAPK9
SCHEMBL886191 0.85 MET (0.79) METALKPKMYT1INSRMAPK8
SCHEMBL886346 0.83 MET (0.69) METALKPKMYT1INSRPTK2

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