SCHEMBL28351005

SCHEMBL28351005

COc1ccc(C(=O)NCCNc2nc(Cl)nc3ccsc23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.51
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL28351501 0.94 POLB (0.50) CFTRKMT2ARAB9ANPC1MAPK1
SCHEMBL28351731 0.85 CFTR (0.51) CFTRKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28351327 0.82 KDM4E (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL28354910 0.81 LRRK2 (0.48) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL28355007 0.81 MAPT (0.49) CFTRKMT2ARAB9ANPC1MAPK1
SCHEMBL28351642 0.81 CFTR (0.50) CFTRKMT2AGAAMAPTTP53
SCHEMBL28354958 0.78 PAK4 (0.49) KMT2A
SCHEMBL28355134 0.76 POLB (0.48) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL28351398 0.75 PDE4A (0.48) RAB9ANPC1MAPK1MAPT
SCHEMBL28351430 0.75 PDE4A (0.48) RAB9ANPC1MAPK1MAPT

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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