SCHEMBL31662896

SCHEMBL31662896

Cc1ncnc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2A6 P11509 1/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
GRM4 Q14833 1/20 0.38
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTT P42858 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL12560150 1.00 L3MBTL1 (0.45) L3MBTL1NPC1HSP90AA1CYP2A6EGFR
Charcoal, Activated SCHEMBL11434519 0.98 L3MBTL1 (0.43) L3MBTL1NPC1HSP90AA1CYP2A6EGFR
SCHEMBL6371727 0.75 EGFR (0.40) L3MBTL1NPC1HSP90AA1EGFRKDM4E
SCHEMBL12559949 0.74 EGFR (0.41) L3MBTL1NPC1HSP90AA1EGFRKDM4E
SCHEMBL2210491 0.74 EGFR (0.41) L3MBTL1NPC1HSP90AA1EGFRKDM4E
SCHEMBL29427603 0.74 PI4KA (0.52) HSP90AA1EGFRKDM4EMAPTLMNA
SCHEMBL1065478 0.74 PDE4A (0.52) L3MBTL1NPC1HSP90AA1EGFRKDM4E
SCHEMBL2041433 0.74 PI4KA (0.52) HSP90AA1EGFRKDM4EMAPTLMNA
SCHEMBL6837820 0.74 EGFR (0.41) L3MBTL1NPC1HSP90AA1EGFRKDM4E
SCHEMBL30880053 0.74 EGFR (0.41) L3MBTL1NPC1HSP90AA1EGFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO claimed
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed