SCHEMBL21362244

SCHEMBL21362244

Cn1ccc(=O)c2ncn(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ KDM6A O15550 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ DOHH Q9BU89 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ GDA Q9Y2T3 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL21362200 0.83 KDM4E (0.35) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL21372044 0.82 PI4KA (0.37) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL24504446 0.74 ADORA2A (0.36) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL19152544 0.68 KDM4E (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL25665451 0.68 ALDH1A1 (0.41) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL21356495 0.65 BRD4 (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL20224922 0.65 CDK2 (0.40) ADORA2AADORA1CRBNGDARAB9A
SCHEMBL21372050 0.64 PI4KA (0.38) ADORA2AADORA1ALDH1A1
Isocaffiene SCHEMBL515995 0.64 LMNA (0.57) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL21362194 0.63 ADORA2A (0.32) ADORA2AADORA1GDAPIK3CDPOLB

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-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 — — WO disclosed
Send feedback