SCHEMBL30744336

SCHEMBL30744336

C=C(C)c1nc(C(F)(F)F)ccc1Cn1cc(CN)cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
KLKB1 P03952 5/20 0.32
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL21492743 1.00 SCD5 (0.35) SCD5GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL21492264 0.99 SCD5 (0.34) SCD5GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744587 0.99 SCD5 (0.34) SCD5GABRA1GABRR1GABRA3GABRA2
SCHEMBL21503393 0.89 KLKB1 (0.35) SCD5GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL21491586 0.88 KLKB1 (0.35) SCD5GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744393 0.88 KLKB1 (0.35) SCD5GABRA1GABRR1GABRA3GABRA2
SCHEMBL21503395 0.85 GABRA1 (0.35) SCD5GABRA1GABRR1GABRA3GABRA2
SCHEMBL28517876 0.84 SCD5 (0.35) SCD5
SCHEMBL21491676 0.83 KLKB1 (0.38) SCD5KLKB1
Trifluoroacetic Acid SCHEMBL30265181 0.83 SCD5 (0.35) SCD5KLKB1

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-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed