SCHEMBL21565634

SCHEMBL21565634

Bc1ccc(CN2CCN(C)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
MC4R P32245 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
KDM4E B2RXH2 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CHKA P35790 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PAICS P22234 1/20 0.38
CA2 P00918 1/20 0.37
NCF1 P14598 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL12513 0.81 LTA4H (0.45) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL29475484 0.80 LMNA (0.57) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL30911535 0.80 KDM4E (0.44) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL30529060 0.80 MC4R (0.47) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL18713012 0.80 ALDH1A1 (0.45) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL13452765 0.80 HRH3 (0.53) HRH3KDM4EGLA
SCHEMBL29036793 0.80 AXL (0.45) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL1126227 0.80 LMNA (0.57) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL20160519 0.80 MC4R (0.47) LTA4HMC4RHRH3KDM4EHRH4
SCHEMBL2933048 0.80 KDM4E (0.45) LTA4HMC4RHRH3KDM4EHRH4

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