SCHEMBL30031982

SCHEMBL30031982

COc1cc(OC(F)F)cnc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
FYN P06241 3/20 0.37
MAP3K12 Q12852 7/20 0.37
POLB P06746 1/20 0.35
ALK Q9UM73 2/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CSF1R P07333 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TLR8 Q9NR97 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL23641248 1.00 PIK3CA (0.38) PIK3CAFYNMAP3K12POLBALK
SCHEMBL27314054 0.86 MAP3K12 (0.42) MAP3K12
SCHEMBL2901554 0.81 FYN (0.45) FYNALDH1A1CYP3A4TLR8P2RX3
SCHEMBL30723495 0.80 SCN9A (0.38) FYNHCRTR1HCRTR2
SCHEMBL23641518 0.80 SCN9A (0.38) FYNHCRTR1HCRTR2
SCHEMBL24696640 0.77 MAP4K4 (0.34) PIK3CAMAP3K12
SCHEMBL16416412 0.73 PIK3CA (0.42) PIK3CAFYNALDH1A1
SCHEMBL24588295 0.72 PIK3C3 (0.38) PIK3CAMAP3K12POLBP2RX3P2RX2
SCHEMBL2121662 0.72 FYN (0.45) FYNALKTLR8P2RX3P2RX2
SCHEMBL10174184 0.71 NOS3 (0.48) MAP3K12

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-112292375-B Substituted alkoxypyridinyl indole sulfonamides 优时比制药有限公司 2023-12-05 CN disclosed
WO-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 WO disclosed