SCHEMBL30125307

SCHEMBL30125307

CC(C)C(CNc1nc(-c2ccsc2)nc2ccccc12)N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.54
ACP1 P24666 2/20 0.53
GBA1 P04062 2/20 0.51
TLR9 Q9NR96 2/20 0.48
PDE5A O76074 4/20 0.42
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL23723287 1.00 SLC6A3 (0.54) SLC6A3ACP1GBA1TLR9PDE5A
SCHEMBL23747914 0.84 SLC6A3 (0.54) SLC6A3ACP1GBA1TLR9PDE5A
SCHEMBL23747915 0.83 CYP1A2 (0.57) SLC6A3ACP1TLR9
SCHEMBL23747842 0.83 GBA1 (0.55) SLC6A3ACP1GBA1PDE5A
SCHEMBL30125328 0.81 TLR9 (0.63) ACP1GBA1TLR9
SCHEMBL23723445 0.81 TLR9 (0.63) ACP1GBA1TLR9
SCHEMBL23747843 0.80 SLC6A3 (0.49) SLC6A3ACP1GBA1TLR9PDE5A
SCHEMBL23747909 0.80 PDE5A (0.54) SLC6A3ACP1GBA1TLR9PDE5A
SCHEMBL23723346 0.80 PDE5A (0.48) SLC6A3ACP1TLR9PDE5AHRH4
SCHEMBL30125141 0.80 PDE5A (0.48) SLC6A3ACP1TLR9PDE5AHRH4

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
EP-4100395-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER Trobio Therapeutics Pty Ltd (AU) 2022-12-14 EP disclosed