SCHEMBL28525628

SCHEMBL28525628

CNc1cnn(C2CC(F)(F)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
IRAK4 Q9NWZ3 9/20 0.34
PIK3CD O00329 1/20 0.32
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
IRAK1 P51617 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KCNH2 Q12809 1/20 0.31
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TAS2R8 Q9NYW2 1/20 0.31
OGA O60502 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
SCHEMBL255478 0.80 DDB1 (0.40) CNR2DDB1CRBNIRAK4JAK1
SCHEMBL24852547 0.76 IRAK4 (0.33) IRAK4PIK3CDNTRK1FLT3IRAK1
SCHEMBL25882659 0.76 ACHE (0.43) CNR2DDB1CRBNIRAK4JAK2
SCHEMBL24797625 0.76 LRRK2 (0.40) CNR2IRAK4JAK2JAK1TYK2
SCHEMBL26688281 0.76 KHK (0.35) CNR2DDB1CRBNIRAK4FLT3
SCHEMBL27064153 0.75 OGA (0.33) IRAK4CLK2LRRK2OGA
SCHEMBL25690863 0.75 ACHE (0.33) OGA
Hydrochloric Acid SCHEMBL28522809 0.74 IRAK4 (0.39) DDB1CRBNIRAK4FLT3OGA
Hydrochloric Acid SCHEMBL28522807 0.74 IRAK4 (0.39) DDB1CRBNIRAK4FLT3OGA
Hydrochloric Acid SCHEMBL28908771 0.74 IRAK4 (0.39) DDB1CRBNIRAK4FLT3OGA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed