SCHEMBL25426358

SCHEMBL25426358

Cc1cc(C(F)(F)F)nc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2cnc(N3CCOCC3)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.41
▸ KIF11 P52732 8/20 0.39
▸ LMNA P02545 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ SIRT1 Q96EB6 1/20 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
SCHEMBL25426810 0.94 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25423259 0.92 PDE5A (0.45) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425269 0.92 PDE5A (0.40) PDE5AKIF11LMNASTAT3HTR2A
Formic Acid SCHEMBL25424187 0.90 PDE5A (0.40) PDE5AKIF11LMNASTAT3SIRT1
SCHEMBL25423733 0.89 PDE5A (0.40) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425224 0.87 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425384 0.87 PDE5A (0.42) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425640 0.86 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25423987 0.86 KIF11 (0.43) PDE5AKIF11HTR2AHTR2CSIRT1
SCHEMBL25427222 0.86 PDE5A (0.42) PDE5AKIF11LMNASTAT3HTR2A

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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