SCHEMBL23990554

SCHEMBL23990554

O=C(O)c1ncnn1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.35
▸ PIK3CA P42336 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADRA1A P35348 1/20 0.31
▸ KDM4C Q9H3R0 2/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL25745169 0.86 ATM (0.33) ATM
SCHEMBL30281208 0.84 PIK3CA (0.41) ATMPIK3CAADRA1APIK3CDPIK3CG
SCHEMBL23990475 0.83 KDM4C (0.33) ATML3MBTL1KDM4C
SCHEMBL23990535 0.80 NPC1 (0.33) PIK3CAADRA1APIK3CDPIK3CG
SCHEMBL23989879 0.77 L3MBTL1 (0.31) L3MBTL1
SCHEMBL23989768 0.74 CNR1 (0.32) L3MBTL1
SCHEMBL14825920 0.73 L3MBTL1 (0.46) L3MBTL1KDM4C
SCHEMBL28976350 0.72 ATM (0.31) ATM
SCHEMBL30281171 0.71 KDM4C (0.34) ATMKDM4C
SCHEMBL30281146 0.71 PIK3CA (0.33) ATMPIK3CAPIK3CDPIK3CG

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-2021222404-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN BIOTECH, INC. (US) 2021-11-04 — — WO disclosed
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