SCHEMBL28795443

SCHEMBL28795443

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cnc(C(F)(F)F)nc4)cs3)csc2n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.66
TRPV4 Q9HBA0 11/20 0.66
TRPV3 Q8NET8 2/20 0.66

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
SCHEMBL28795410 0.90 TRPA1 (0.64) TRPA1TRPV4TRPV3
SCHEMBL474581 0.85 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL474733 0.84 TRPA1 (0.77) TRPA1TRPV4TRPV3
SCHEMBL28795406 0.84 TRPA1 (0.57) TRPA1TRPV4TRPV3
SCHEMBL9933398 0.84 TRPA1 (0.79) TRPA1TRPV4TRPV3
SCHEMBL474656 0.83 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL474905 0.83 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL474692 0.82 TRPA1 (0.65) TRPA1TRPV4TRPV3
SCHEMBL474848 0.80 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL474777 0.80 TRPA1 (0.81) TRPA1TRPV4TRPV3

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-114656480-B Thienopyrimidine compound, isomer or salt, preparation method and application thereof 成都施贝康生物医药科技有限公司 2024-01-26 CN disclosed
CN-114656480-A Thienopyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-24 CN disclosed