SCHEMBL25425154

SCHEMBL25425154

CCCCN(CCCC)c1nc(C)nc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2cnc(N3CCOCC3)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 10/20 0.39
▸ PDE5A O76074 5/20 0.38
▸ LMNA P02545 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25424975 0.89 PDE5A (0.41) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25423323 0.87 KIF11 (0.40) KIF11PDE5ALMNASTAT3NPSR1
SCHEMBL25426658 0.84 PDE5A (0.43) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25423259 0.83 PDE5A (0.45) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25423944 0.82 PDE5A (0.41) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25424522 0.82 PDE5A (0.43) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25425640 0.81 PDE5A (0.43) KIF11PDE5ALMNASTAT3SIRT1
SCHEMBL25423076 0.81 PDE5A (0.42) KIF11PDE5A
SCHEMBL25425224 0.81 PDE5A (0.43) KIF11PDE5ALMNASTAT3HTR2A
SCHEMBL25424470 0.79 PDE5A (0.47) KIF11PDE5ALMNASTAT3HTR2A

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-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 — — WO claimed
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