SCHEMBL23912185

SCHEMBL23912185

C=C(NCC(C)(C)C#N)c1cccc(-c2cnc3[nH]c(C4=CCSCC4)cc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 12/20 0.42
BTK Q06187 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
RET P07949 1/20 0.32
FLT3 P36888 1/20 0.32
ULK2 Q8IYT8 1/20 0.32
AURKB Q96GD4 1/20 0.32
BRD4 O60885 1/20 0.30

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
SCHEMBL18918869 0.92 ULK1 (0.52) ULK1BTKRETFLT3ULK2
SCHEMBL23912139 0.84 ULK1 (0.53) ULK1BRD4
SCHEMBL18918783 0.83 ULK1 (0.44) ULK1BTKCCNT1CDK9RET
SCHEMBL18918791 0.79 ULK1 (0.53) ULK1RETFLT3ULK2AURKB
SCHEMBL18918687 0.79 ULK1 (0.51) ULK1RETFLT3ULK2AURKB
SCHEMBL18932445 0.79 ULK1 (0.53) ULK1RETFLT3ULK2AURKB
SCHEMBL18944135 0.79 ULK1 (0.55) ULK1BTKRETFLT3ULK2
SCHEMBL18918680 0.78 ULK1 (0.52) ULK1BTKCCNT1CDK9RET
SCHEMBL18918801 0.77 ULK1 (0.53) ULK1RETFLT3ULK2AURKB
SCHEMBL18918762 0.76 ULK1 (0.65) ULK1BRD4

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
EP-3386980-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-10-13 EP disclosed