SCHEMBL25277901

SCHEMBL25277901

COc1ncccc1Cn1cc(NC(=O)[C@@H](N)C2CCC(F)(F)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 1/20 0.45
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ KDM1A O60341 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SCD5 Q86SK9 6/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RIPK1 Q13546 4/20 0.38
▸ SCD O00767 5/20 0.38
▸ AURKA O14965 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ C3AR1 Q16581 1/20 0.36

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
SCHEMBL25277902 1.00 TAS2R8 (0.45) TAS2R8JAK3JAK2KDM1ARAB9A
Hydrochloric Acid SCHEMBL30489286 0.99 TAS2R8 (0.44) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25270622 0.85 SCD (0.41) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL30489288 0.85 SCD (0.41) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25270623 0.85 SCD (0.41) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25650706 0.84 TAS2R8 (0.44) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25650697 0.83 TAS2R8 (0.42) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25270576 0.83 TAS2R8 (0.42) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25270575 0.83 TAS2R8 (0.42) TAS2R8JAK3JAK2KDM1ARAB9A
SCHEMBL25650713 0.83 TAS2R8 (0.37) TAS2R8JAK3JAK2KDM1ARAB9A

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
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 — — WO disclosed
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 — — WO disclosed
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