SCHEMBL21565571

SCHEMBL21565571

OCCN1CCN(Cc2ccc(-c3ncc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CHKA P35790 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
PKM P14618 1/20 0.43
TLR9 Q9NR96 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAP3K9 P80192 1/20 0.41
MAP3K11 Q16584 1/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL21565486 0.87 CHKA (0.59) CHKAHRH3HRH4LMNA
SCHEMBL21565650 0.84 HRH3 (0.45) ALDH1A1CHKAHRH3GAAHRH4
SCHEMBL21565578 0.82 HRH3 (0.60) ALDH1A1HRH3MEN1KMT2ANPC1
SCHEMBL21565726 0.81 HRH3 (0.64) CHKAHRH3MEN1KMT2AL3MBTL1
SCHEMBL21565484 0.79 DRD4 (0.46) ALDH1A1CHKAHRH3NPC1RAB9A
SCHEMBL21565728 0.78 ROCK2 (0.49) ALDH1A1CHKAHRH3GAAMEN1
SCHEMBL21565496 0.76 CHKA (0.59) CHKAHRH3TLR9
SCHEMBL23134807 0.75 HRH3 (0.44) HRH3HRH4CYP3A4CYP2D6
SCHEMBL21565483 0.73 MLNR (0.56) HRH3
SCHEMBL21565660 0.72 CHKA (0.60) CHKAHRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134368-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-15 EP disclosed
EP-3790879-B1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed
WO-2019215316-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-11-14 WO disclosed