SCHEMBL30147701

SCHEMBL30147701

CNC(=O)c1cncc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.60
RAF1 P04049 3/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RPS6KA3 P51812 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
EGFR P00533 1/20 0.40
PLK1 P53350 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC2 Q92769 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL22644533 1.00 HCAR2 (0.60) HCAR2RAF1PTGS1PTGS2SCN10A
SCHEMBL30367991 0.87 HCAR2 (0.55) HCAR2RAF1PTGS1PTGS2SCN10A
SCHEMBL5909485 0.86 RAF1 (0.53) HCAR2RAF1PTGS1PTGS2HDAC6
SCHEMBL23167326 0.82 HCAR2 (0.62) HCAR2PTGS1PTGS2HDAC6HDAC1
SCHEMBL289817 0.82 HCAR2 (0.49) HCAR2PTGS1PTGS2HDAC6HDAC1
SCHEMBL5479141 0.81 KDM4E (0.62) HCAR2PTGS1PTGS2SCN10AHDAC6
SCHEMBL21607970 0.78 RAF1 (0.48) RAF1PTGS1PTGS2HDAC6KDM4E
SCHEMBL3168799 0.78 KDM4E (0.59) RAF1KDM4EALDH1A1MKNK1MKNK2
SCHEMBL10274534 0.78 HCAR2 (0.62) HCAR2RAF1PTGS2KDM4EALDH1A1
SCHEMBL2722765 0.78 HCAR2 (0.67) HCAR2PTGS1PTGS2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395828-A1 BIFUNCTIONAL DEGRADERS COMPRISING A TEAD BINDER Novartis AG (CH) 2024-07-10 EP disclosed
WO-2023031801-A1 BIFUNCTIONAL DEGRADERS COMPRISING A TEAD BINDER NOVARTIS AG (CH) 2023-03-09 WO disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed