SCHEMBL21357718

SCHEMBL21357718

O=C(Nc1ncnc2c1ncn2C1OC(CS)CC1F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ P2RY12 Q9H244 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL8619444 0.92 SLC29A1 (0.47) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8619439 0.92 SLC29A1 (0.47) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL19146419 0.89 PRMT6 (0.44) P2RY12PRMT6BMPR1BADORA1ADORA3
SCHEMBL18496467 0.81 SLC29A1 (0.59) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL31160198 0.81 SLC29A1 (0.59) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL18496429 0.79 SLC29A1 (0.48) P2RY12PRMT6ADORA1ADORA3ADORA2A
SCHEMBL23881920 0.79 SLC29A1 (0.49) P2RY12ADORA3
SCHEMBL21539900 0.79 ADORA1 (0.46) P2RY12PRMT6ADORA1ADORA3ADORA2A
SCHEMBL18496420 0.78 P2RY12 (0.45) P2RY12PRMT6ADORA1ADORA3ADORA2A
SCHEMBL7247160 0.78 BMPR1B (0.53) P2RY12PRMT6BMPR1BADORA1ADORA3

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-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
EP-3765474-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) Pfizer Inc (US) 2021-01-20 — — EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 — — WO disclosed
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