SCHEMBL29906309

SCHEMBL29906309

[2H]C([2H])([2H])n1ncc2cc(B(O)O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPA1 O75762 1/20 0.34
MAOB P27338 3/20 0.33
TGFBR1 P36897 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
VNN1 O95497 1/20 0.33
PDE1C Q14123 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7 P36402 1/20 0.33
CDC7 O00311 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33

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
SCHEMBL21172 0.88 TRPA1 (0.42) CA1CA2TRPA1MAOBMAOA
SCHEMBL29722623 0.88 TRPA1 (0.42) CA1CA2TRPA1MAOBMAOA
SCHEMBL29953317 0.75 NOTUM (0.44) CA1CA2VNN1PDE1CENPP2
SCHEMBL876657 0.75 NOTUM (0.44) CA1CA2VNN1PDE1CENPP2
SCHEMBL30855622 0.75 EGFR (0.38) TRPA1MAOBTGFBR1MAOAACHE
SCHEMBL26027127 0.74 ACLY (0.41) CA1CA2CHEK1AURKADAPK3
SCHEMBL31089867 0.74 ACLY (0.41) CA1CA2CHEK1AURKADAPK3
SCHEMBL4251433 0.74 HTR2A (0.39) CA1CA2TGFBR1
SCHEMBL24858407 0.71 CA1 (0.38) CA1CA2ENPP2
SCHEMBL31097199 0.71 CTNNB1 (0.44) TRPA1TGFBR1VNN1CTNNB1TCF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493558-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2025-01-22 EP disclosed
CN-119173514-A Tricyclic urea compounds as JAK 2V 617F inhibitors 因赛特公司 2024-12-20 CN disclosed
WO-2024086273-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2024-04-25 WO disclosed
EP-4298099-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2024-01-03 EP disclosed
WO-2023178285-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2023-09-21 WO disclosed
WO-2022182839-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-09-01 WO disclosed