SCHEMBL31663074

SCHEMBL31663074

Cc1nc(CCl)nc2cccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HSP90AB1 P08238 1/20 0.35
PDE10A Q9Y233 2/20 0.35
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE2A O00408 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
SCHEMBL31663307 0.83 PARP1 (0.44) PARP1HSP90AB1PDE10AACHEBCHE
SCHEMBL3971551 0.83 ELANE (0.41) PARP1ACHEBCHE
SCHEMBL31663247 0.81 PARP1 (0.45) PARP1ACHEBCHE
SCHEMBL3107616 0.81 KMT2A (0.39) PARP1HSP90AB1PDE10AACHEBCHE
SCHEMBL22215515 0.80 NPC1 (0.38)
SCHEMBL14842795 0.77 PARP1 (0.47) PARP1HSP90AB1PDE10AACHEBCHE
SCHEMBL12501306 0.77 PARP1 (0.50) PARP1HSP90AB1PDE10AACHEBCHE
SCHEMBL21325635 0.74 ALDH1A1 (0.52) PARP1HSP90AB1ACHEKCNH2
SCHEMBL12501303 0.74 PARP1 (0.47) PARP1HSP90AB1PDE10AACHEBCHE
SCHEMBL31663149 0.73 PDE10A (0.38) PARP1PDE10A

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