SCHEMBL31082091

SCHEMBL31082091

CNC(=O)c1ccnc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ TAS1R2 Q8TE23 1/20 0.55
▸ PLK1 P53350 2/20 0.49
▸ BRAF P15056 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ PREP P48147 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ HDAC2 Q92769 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ FOLH1 Q04609 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL13702396 1.00 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2PLK1BRAF
SCHEMBL2997667 0.81 KDM4E (0.55) TAS1R3TAS1R1TAS1R2BRAFPREP
SCHEMBL13702293 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2BRAFPREP
SCHEMBL13702150 0.81 FDPS (0.57) TAS1R3TAS1R1TAS1R2BRAFPREP
SCHEMBL13701752 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2BRAFPREP
SCHEMBL8566224 0.79 PLK1 (0.50) PLK1HDAC8HDAC6THRBHDAC2
SCHEMBL26415629 0.79 PLK1 (0.50) PLK1HDAC8HDAC6THRBHDAC2
SCHEMBL16572977 0.79 CYP1A2 (0.56) PLK1HDAC8HDAC6HDAC2DDB1
SCHEMBL29967026 0.79 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2BRAFPREP
SCHEMBL1437180 0.79 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2BRAFPREP

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
EP-4676927-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS Synnovation Therapeutics, Inc. (US) 2026-01-14 — — EP disclosed
WO-2024187049-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-09-12 — — WO disclosed
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