SCHEMBL21098219

SCHEMBL21098219

CCCCCCNc1nc(Cl)nc2c1SCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ACHE P22303 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE11A Q9HCR9 1/20 0.32
▸ DNM2 P50570 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL2917889 0.89 KMT2A (0.36) KMT2ASMN1; SMN2SLC29A1PDE2APDE1B
SCHEMBL6419623 0.73 ACHE (0.47) KMT2AACHE
SCHEMBL6415887 0.73 ACHE (0.50) KMT2AACHE
SCHEMBL10005092 0.73 KMT2A (0.54) KMT2ASMN1; SMN2SLC29A1HDAC1HDAC2
SCHEMBL373879 0.70 TLR8 (0.36) TLR8
SCHEMBL975147 0.70 TLR8 (0.36) TLR8
SCHEMBL21098222 0.69 — —
SCHEMBL31491388 0.68 PDE10A (0.44) SMN1; SMN2
SCHEMBL31491313 0.68 NPC1 (0.35) KMT2ASMN1; SMN2KDM4EL3MBTL1PDE2A
SCHEMBL6415271 0.67 TLR8 (0.58) KMT2ASLC29A1HDAC1HDAC2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019115774-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIMIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-06-20 — — WO disclosed
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