SCHEMBL31416748

SCHEMBL31416748

Clc1ccc(CN2CCN(C3COC3)CC2)nn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
SOS1 Q07889 1/20 0.36
TRPV6 Q9H1D0 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CXCR4 P61073 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DDR1 Q08345 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30948016 0.84 ALDH1A1 (0.45) TRPV6ALDH1A1TSHRMEN1KMT2A
SCHEMBL21550463 0.79 CXCR4 (0.54) ALDH1A1TSHRMEN1KMT2ACXCR4
SCHEMBL21553765 0.75 HRH4 (0.49) ALDH1A1MEN1KMT2AKDM4EHRH3
SCHEMBL29725208 0.75 HRH4 (0.49) ALDH1A1MEN1KMT2AKDM4EHRH3
SCHEMBL30309949 0.72 SIGMAR1 (0.62) TRPV6TSHR
SCHEMBL3051997 0.72 HRH3 (0.43) ALDH1A1MEN1KMT2AKDM4EHRH3
Hydrochloric Acid SCHEMBL27808142 0.71 HRH3 (0.42) ALDH1A1MEN1KMT2AKDM4EHRH3
SCHEMBL20332370 0.70 PARP1 (0.39) ALDH1A1
SCHEMBL31416797 0.69 MCHR1 (0.36) PDCD1LG2CD274SOS1TRPV6
SCHEMBL31416707 0.69 ALDH1A1 (0.40) PDCD1LG2CD274ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed