SCHEMBL25173559

SCHEMBL25173559

CC(=CCNc1ncn(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ncnc1-2)CO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ HIF1A Q16665 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ SLC29A1 Q99808 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46

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
SCHEMBL25176651 1.00 TSHR (0.52) TSHRLMNATP53ALOX15HTT
SCHEMBL25176202 1.00 TSHR (0.52) TSHRLMNATP53ALOX15HTT
SCHEMBL25173767 0.93 HIF1A (0.56) TSHRLMNATP53ALOX15HTT
SCHEMBL25173725 0.93 HIF1A (0.56) TSHRLMNATP53ALOX15HTT
SCHEMBL25170511 0.84 ADORA3 (0.47) TSHRTP53RXFP1HIF1AADORA3
SCHEMBL25173663 0.84 ADORA3 (0.47) TSHRTP53RXFP1HIF1AADORA3
SCHEMBL25170603 0.83 TP53 (0.75) TSHRLMNATP53ALOX15HTT
SCHEMBL25173544 0.83 TP53 (0.75) TSHRLMNATP53ALOX15HTT
SCHEMBL25170460 0.83 TP53 (0.75) TSHRLMNATP53ALOX15HTT
SCHEMBL25176615 0.83 TP53 (0.75) TSHRLMNATP53ALOX15HTT

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-4472642-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2024-12-11 — — EP disclosed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 — — WO disclosed
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