SCHEMBL21362200

SCHEMBL21362200

Cn1ccc(=O)c2ncn(I)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM6A O15550 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ DOHH Q9BU89 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL21362244 0.83 KDM4E (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL21372044 0.77 PI4KA (0.37) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL21362194 0.74 ADORA2A (0.32) —
SCHEMBL21356495 0.66 BRD4 (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL19152544 0.64 KDM4E (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL21362193 0.63 ADORA2A (0.42) —
SCHEMBL25665451 0.60 ALDH1A1 (0.41) KDM4E
SCHEMBL24504446 0.58 ADORA2A (0.36) KDM4E
SCHEMBL21362204 0.56 HPRT1 (0.51) —
SCHEMBL15790475 0.55 KDM4E (0.61) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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