SCHEMBL28354910

SCHEMBL28354910

O=C(NCCNc1nc(Cl)nc2ccsc12)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.48
▸ PAK4 O96013 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ TYRO3 Q06418 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ CTDSP1 Q9GZU7 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ADORA2A P29274 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PIK3CA P42336 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
SCHEMBL28355007 0.89 MAPT (0.49) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28354958 0.86 PAK4 (0.49) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28351335 0.83 PAK4 (0.50) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28351327 0.83 KDM4E (0.47) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28351430 0.82 PDE4A (0.48) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28351398 0.82 PDE4A (0.48) LRRK2PAK4MAPK8TYRO3CLK4
SCHEMBL28351005 0.81 CFTR (0.51) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL28351731 0.79 CFTR (0.51) CLK4NPC1RAB9AKMT2AMEN1
SCHEMBL28355134 0.78 POLB (0.48) NPC1RAB9ANPSR1CTDSP1KMT2A
SCHEMBL28355027 0.77 BRD4 (0.49) LRRK2PAK4MAPK8TYRO3CLK4

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
CN-110590807-B Thieno [3,2-d ] pyrimidine derivative and application thereof 陕西理工大学 2022-01-07 — — CN claimed
CN-110590807-A Novel thieno [3,2-d ] pyrimidine derivative and application thereof 陕西理工大学 2019-12-20 — — CN claimed
CN-110590807-B Thieno [3,2-d ] pyrimidine derivative and application thereof 陕西理工大学 2022-01-07 — — CN disclosed
CN-110590807-A Novel thieno [3,2-d ] pyrimidine derivative and application thereof 陕西理工大学 2019-12-20 — — CN disclosed
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