SCHEMBL25424975

SCHEMBL25424975

Cc1nc(N(C)C)nc(N2CCc3c([nH]c4ccc(Cl)cc34)C2c2cnc(N3CCOCC3)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.41
▸ KIF11 P52732 10/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36

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
SCHEMBL25424522 0.91 PDE5A (0.43) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25425154 0.89 KIF11 (0.39) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25426658 0.88 PDE5A (0.43) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25423259 0.88 PDE5A (0.45) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25423944 0.87 PDE5A (0.41) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25425640 0.85 PDE5A (0.43) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25423076 0.85 PDE5A (0.42) PDE5AKIF11
SCHEMBL25425224 0.85 PDE5A (0.43) PDE5AKIF11LMNASTAT3HTR2A
SCHEMBL25425384 0.84 PDE5A (0.42) PDE5AKIF11SIRT1LMNASTAT3
SCHEMBL25426455 0.84 PDE5A (0.43) PDE5AKIF11SIRT1LMNASTAT3

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
Send feedback