SCHEMBL29017442

SCHEMBL29017442

CC(C)=NO.O=Cc1c(F)cc(Br)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
ERN1 O75460 1/20 0.32

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
SCHEMBL29017441 0.87 ERN1 (0.32) ERN1
SCHEMBL1591447 0.86 PRKDC (0.32) ERN1
SCHEMBL30435474 0.73
SCHEMBL29979088 0.73 PRKDC (0.33) ERN1
SCHEMBL19551990 0.73 ERN1 (0.44) ERN1
SCHEMBL31015984 0.70 CA1 (0.37) ERN1
SCHEMBL5420882 0.70 CA1 (0.37) ERN1
SCHEMBL9478821 0.70 CA1 (0.37) ERN1
SCHEMBL30975518 0.70 CA1 (0.37) ERN1
SCHEMBL26077753 0.69 CA1 (0.44) ERN1

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-116262759-B Pyrimidine tricyclic compound, and preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2023-12-08 CN disclosed
CN-116262759-A Pyrimidine tricyclic compound, and preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2023-06-16 CN disclosed