SCHEMBL30409845

SCHEMBL30409845

Fc1nc(NCc2cccc(Cl)c2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ADORA3 P0DMS8 14/20 0.54
▸ ADORA2A P29274 11/20 0.54
▸ ADORA1 P30542 7/20 0.54
▸ PPARD Q03181 1/20 0.52
▸ HTR2B P41595 2/20 0.51
▸ TMIGD3 P0DMS9 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ YTHDC1 Q96MU7 2/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ADORA2B P29275 1/20 0.47

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
SCHEMBL30410625 0.99 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30410978 0.97 ADORA3 (0.55) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30409462 0.94 ADORA3 (0.57) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30409989 0.91 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30410634 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30409622 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30411327 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30411200 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30411047 0.89 ADORA3 (0.63) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30410429 0.89 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A

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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