SCHEMBL21565484

SCHEMBL21565484

CN(C)C(=O)CN1CCN(Cc2ccc(-c3ncc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
AKT1 P31749 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MLNR O43193 1/20 0.41
MCHR1 Q99705 1/20 0.40
MAP4K4 O95819 1/20 0.40
ENPP2 Q13822 1/20 0.40
CHKA P35790 1/20 0.39
LRRK2 Q5S007 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL21565726 0.83 HRH3 (0.64) HRH3MCHR1CHKA
SCHEMBL21565486 0.81 CHKA (0.59) HRH3KDM4ELMNACHKA
SCHEMBL23979333 0.81 DRD4 (0.44) DRD4AKT1HRH3KDM4ENPC1
SCHEMBL21565571 0.79 ALDH1A1 (0.46) HRH3NPC1LMNARAB9AALDH1A1
SCHEMBL21550771 0.77 SLC16A3 (0.60) AKT1KDM4ENPC1LMNARAB9A
SCHEMBL21565578 0.76 HRH3 (0.60) HRH3KDM4ENPC1RAB9AALDH1A1
SCHEMBL21565650 0.76 HRH3 (0.45) HRH3ALDH1A1CHKA
SCHEMBL23134807 0.74 HRH3 (0.44) HRH3MLNR
SCHEMBL18291679 0.73 DRD4 (0.50) DRD4AKT1HRH3KDM4ENPC1
SCHEMBL21565483 0.73 MLNR (0.56) HRH3MLNR

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