SCHEMBL30239644

SCHEMBL30239644

O=C1C=CNC(=O)C2(CCNCC2)N1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.33

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
SCHEMBL20633697 0.69 NEK2 (0.36) NEK2
SCHEMBL239415 0.69 CRBN (0.41) NEK2
Ammonia Solution, Strong SCHEMBL1763719 0.67 CRBN (0.40) NEK2
Hydrochloric Acid SCHEMBL8809373 0.67 CRBN (0.40) NEK2
SCHEMBL29689911 0.65 BACE1 (0.33) NEK2
SCHEMBL2604297 0.65 NEK2 (0.32) NEK2
SCHEMBL30552386 0.64 BACE1 (0.47)
Hydrochloric Acid SCHEMBL2496395 0.64 NEK2 (0.35) NEK2
SCHEMBL606993 0.64 NEK2 (0.48) NEK2
SCHEMBL23651601 0.63 PDE7A (0.38) NEK2

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
CN-111285875-B Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技股份有限公司 2023-02-03 CN disclosed