SCHEMBL30563726

SCHEMBL30563726

Nc1ncnc2c1[nH]c(=O)n2C1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.44
▸ EEF2K O00418 1/20 0.40
▸ ADCY5 O95622 5/20 0.39
▸ AMD1 P17707 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ NSD3 Q9BZ95 1/20 0.38
▸ ADORA2A P29274 4/20 0.36
▸ TLR8 Q9NR97 3/20 0.36
▸ ADORA3 P0DMS8 3/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL23803929 0.84 ADORA3 (0.49) TLR7EEF2KADORA2AADORA3ADORA2B
SCHEMBL25269666 0.81 MTOR (0.44) TLR7AMD1
SCHEMBL19209529 0.80 TLR7 (0.41) TLR7EEF2KAMD1NSD2NSD3
SCHEMBL30558111 0.77 TLR7 (0.41) TLR7AMD1ADORA2AADORA3ADORA2B
SCHEMBL23217008 0.76 ALDH1A1 (0.43) TLR7EEF2KAMD1NSD2NSD3
SCHEMBL20480733 0.76 BTK (0.42) TLR7EEF2K
SCHEMBL16143478 0.76 BTK (0.42) TLR7EEF2K
SCHEMBL28117979 0.75 TLR7 (0.45) TLR7AMD1NSD2NSD3TLR8
SCHEMBL29614483 0.75 TLR7 (0.41) TLR7NSD2NSD3ADORA2AADORA3
SCHEMBL15156546 0.74 EGFR (0.44) —

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
WO-2023165570-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2023-09-07 — — WO disclosed
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