SCHEMBL28517876

SCHEMBL28517876

C=C(C)c1nc(C(F)(F)F)ccc1Cn1cc(COC(N)=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.35
ERCC5 P28715 1/20 0.32
GRM2 Q14416 1/20 0.31
MBOAT4 Q96T53 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
SCHEMBL28524436 0.92 GRM2 (0.31) SCD5ERCC5GRM2MBOAT4
SCHEMBL21492743 0.84 SCD5 (0.35) SCD5
SCHEMBL30744336 0.84 SCD5 (0.35) SCD5
Hydrochloric Acid SCHEMBL30744587 0.83 SCD5 (0.34) SCD5
Hydrochloric Acid SCHEMBL21492264 0.83 SCD5 (0.34) SCD5
SCHEMBL21491676 0.81 KLKB1 (0.38) SCD5
SCHEMBL21503327 0.79 TRPV1 (0.37) SCD5
SCHEMBL30744368 0.79 TRPV1 (0.37) SCD5
SCHEMBL21503393 0.78 KLKB1 (0.35) SCD5GRM2
Hydrochloric Acid SCHEMBL21491586 0.77 KLKB1 (0.35) SCD5GRM2

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 2 patents. 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
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed