SCHEMBL29673272

SCHEMBL29673272

CC(F)CNc1ccc(-c2nnc(-c3ccc4c(c3)CCC(=C3CC=CO3)N4)o2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ CDC7 O00311 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31

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
SCHEMBL23069701 0.83 CDK2 (0.40) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL23524329 0.76 CDK2 (0.41) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL23523910 0.73 S1PR1 (0.44) KCNH2
SCHEMBL29673320 0.70 S1PR1 (0.36) KCNH2
SCHEMBL23524015 0.70 CDC7 (0.42) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL30355553 0.69 MAPT (0.40) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL23523765 0.69 MAPT (0.40) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL23558562 0.69 CDC7 (0.41) KCNH2S1PR5CDC7CCNE1CDK2
SCHEMBL23524126 0.68 CDC7 (0.42) CDC7CCNE1CDK2DBF4
SCHEMBL23558535 0.66 GSK3B (0.34) —

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-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 — — CN disclosed
Send feedback