SCHEMBL30410487

SCHEMBL30410487

COc1coc(CNc2nc(F)nc3c2ncn3C2CCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ CTSL P07711 1/20 0.40
▸ YTHDC1 Q96MU7 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADORA3 P0DMS8 6/20 0.39
▸ ADORA1 P30542 6/20 0.39
▸ ADORA2A P29274 5/20 0.39
▸ FLT3 P36888 2/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL30411208 0.95 TDP1 (0.44) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30410836 0.95 YTHDC1 (0.48) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30410804 0.87 CDK1 (0.48) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30411086 0.85 TDP1 (0.60) TDP1CTSLNPC1RAB9ASMN1; SMN2
SCHEMBL30410403 0.84 YTHDC1 (0.46) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30410451 0.83 CDK1 (0.52) TDP1CTSLNPC1RAB9ASMN1; SMN2
SCHEMBL30410561 0.83 ADORA3 (0.56) TDP1ADORA3ADORA1ADORA2A
SCHEMBL30410767 0.83 YTHDC1 (0.49) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30410760 0.83 TDP1 (0.42) TDP1CTSLYTHDC1NPC1RAB9A
SCHEMBL30411196 0.83 ADORA3 (0.51) TDP1CTSLADORA3ADORA1ADORA2A

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-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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