SCHEMBL30281146

SCHEMBL30281146

CC(F)(F)Cn1ncnc1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PIK3CD O00329 3/20 0.31
▸ PIK3CG P48736 3/20 0.31
▸ ATM Q13315 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
SCHEMBL30281208 0.87 PIK3CA (0.41) PIK3CAPIK3CDPIK3CGATM
SCHEMBL25745169 0.85 ATM (0.33) ATM
Lithium Ion SCHEMBL30281281 0.83 — —
SCHEMBL24770485 0.81 NPC1 (0.35) ALDH1A1
SCHEMBL24769599 0.80 — —
SCHEMBL12498978 0.78 PDE4B (0.33) PIK3CAALDH1A1TGFBR1PIK3CDPIK3CG
SCHEMBL30281196 0.74 ABL1 (0.32) PIK3CA
SCHEMBL30281185 0.73 HDAC1 (0.31) PIK3CATGFBR1TGFBR2
SCHEMBL30281273 0.72 CNR1 (0.32) TGFBR1
SCHEMBL12410714 0.72 ALDH1A1 (0.41) ALDH1A1LMNATGFBR1ATM

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
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