SCHEMBL25425887

SCHEMBL25425887

Clc1ccc2[nH]c3c(c2c1)CCN(c1nccc(-c2ccccc2)n1)C3c1cnc(N2CCOCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 8/20 0.46
▸ KIF11 P52732 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL25425224 0.87 PDE5A (0.43) PDE5AKIF11EIF2AK2LMNASTAT3
SCHEMBL25422423 0.86 PDE5A (0.42) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25423259 0.84 PDE5A (0.45) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25424470 0.83 PDE5A (0.47) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25426658 0.83 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25426810 0.82 PDE5A (0.43) PDE5AKIF11NPSR1LMNASTAT3
SCHEMBL25425640 0.82 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25424092 0.81 PDE5A (0.41) PDE5AKIF11ALDH1A1LMNASTAT3
SCHEMBL25424522 0.81 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425384 0.80 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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