SCHEMBL30125328

SCHEMBL30125328

CN1CCN(CCNc2nc(-c3ccsc3)nc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.63
USP2 O75604 6/20 0.59
HSD17B10 Q99714 5/20 0.59
ALOX15 P16050 4/20 0.59
ACP1 P24666 3/20 0.57
TSHR P16473 6/20 0.56
MAPK1 P28482 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 9/20 0.56
CYP3A4 P08684 9/20 0.56
CYP2D6 P10635 9/20 0.56
CLK4 Q9HAZ1 6/20 0.56
CYP2C19 P33261 5/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 2/20 0.56
HBB P68871 1/20 0.56
GBA1 P04062 1/20 0.55

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
SCHEMBL23723445 1.00 TLR9 (0.63) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL23747945 0.83 TLR9 (0.63) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL31612767 0.83 MEN1 (0.67) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL23747946 0.82 CYP1A2 (0.81) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL30125338 0.81 GBA1 (0.66) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL23723476 0.81 GBA1 (0.66) TLR9USP2HSD17B10ALOX15ACP1
SCHEMBL30125307 0.81 SLC6A3 (0.54) TLR9ACP1GBA1
SCHEMBL23723287 0.81 SLC6A3 (0.54) TLR9ACP1GBA1
SCHEMBL23747958 0.80 MAPK1 (0.71) TLR9ACP1MAPK1MEN1KMT2A
SCHEMBL23723436 0.80 TLR9 (0.72) TLR9HSD17B10ACP1TSHRMAPK1

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