SCHEMBL29832246

SCHEMBL29832246

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2/N=C\c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.49
▸ TYMP P19971 8/20 0.48
▸ NT5E P21589 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.39
▸ NNMT P40261 2/20 0.39
▸ TRDMT1 O14717 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38

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
SCHEMBL19127764 1.00 ADORA1 (0.49) ADORA1TYMPNT5EP2RY12NNMT
SCHEMBL19127240 0.88 TYMP (0.45) ADORA1TYMPNT5ENNMT
SCHEMBL19127241 0.87 TYMP (0.46) ADORA1TYMPP2RY12
SCHEMBL19127992 0.86 TYMP (0.52) TYMPNT5E
SCHEMBL19127991 0.86 TYMP (0.52) TYMPNT5E
SCHEMBL7210212 0.85 ADORA1 (0.52) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL28827070 0.84 ADORA1 (0.51) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL19145869 0.84 ADORA3 (0.50) ADORA1P2RY12
SCHEMBL20637781 0.83 ADORA1 (0.50) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL19927404 0.81 AHCY (0.53) ADORA1NT5EP2RY12

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-3402801-B1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER INNATE TUMOR IMMUNITY INC (US) 2025-08-06 — — EP disclosed
CN-109451740-B Cyclic dinucleotides for the treatment of disorders associated with STING activity, such as cancer 先天肿瘤免疫公司 2022-09-02 — — CN disclosed
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