SCHEMBL21597429

SCHEMBL21597429

Cn1ccc(NC2=NN=C[N]2)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL21960490 0.69 BRD4 (0.39) MAP4K1PIK3C3PIK3CDPIK3CAPIK3CB
SCHEMBL21597488 0.67 TNNI3K (0.52) PIK3CA
SCHEMBL28161413 0.65 ALDH1A1 (0.39) MAP4K1PIK3C3PIK3CDPIK3CAPIK3CB
SCHEMBL21597280 0.65 TNNI3K (0.42) —
SCHEMBL21597196 0.65 ABCG2 (0.45) —
SCHEMBL21597512 0.64 RAD52 (0.42) —
SCHEMBL21597543 0.64 CCNK (0.39) HDAC6
SCHEMBL21597191 0.63 — —
SCHEMBL1906188 0.62 MAP2K1 (0.55) —
SCHEMBL21597679 0.61 GRM4 (0.37) PIK3CAPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP claimed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO claimed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO disclosed
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