SCHEMBL30410979

SCHEMBL30410979

Fc1cccc(CNc2nc(F)nc3c2ncn3C2CCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.58
▸ ADORA2A P29274 8/20 0.57
▸ ADORA1 P30542 6/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ ADORA2B P29275 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
SCHEMBL30409406 0.95 NPC1 (0.56) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30409989 0.94 NPC1 (0.60) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30409622 0.93 NPC1 (0.59) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410745 0.90 ADORA3 (0.53) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410379 0.90 ADORA3 (0.55) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30409462 0.90 ADORA3 (0.57) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410406 0.90 NPC1 (0.63) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410557 0.90 NPC1 (0.48) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30410365 0.89 CDK1 (0.52) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL30411079 0.88 NPC1 (0.53) ADORA3ADORA2AADORA1NPC1RAB9A

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-4178959-B1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIV PALACKEHO (CZ) 2025-09-10 — — EP claimed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 — — EP claimed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 — — EP disclosed
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