SCHEMBL31670489

SCHEMBL31670489

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2NCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ CARM1 Q86X55 2/20 0.53
▸ NT5E P21589 1/20 0.51
▸ AHCY P23526 1/20 0.50
▸ DOT1L Q8TEK3 1/20 0.49
▸ TRDMT1 O14717 1/20 0.48

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
SCHEMBL19127994 1.00 TYMP (0.59) TYMPADORA1CARM1NT5EAHCY
SCHEMBL16715145 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL8359104 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL1068571 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL15993919 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL20637781 0.88 ADORA1 (0.50) TYMPADORA1CARM1NT5EAHCY
SCHEMBL1068575 0.86 ADORA1 (0.64) TYMPADORA1NT5EDOT1LTRDMT1
SCHEMBL19127268 0.85 TYMP (0.63) TYMPNT5E
SCHEMBL29799117 0.85 NT5E (0.65) TYMPADORA1NT5E
SCHEMBL18042131 0.85 ADORA1 (0.64) TYMPADORA1NT5ETRDMT1

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 1 patent. 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
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