SCHEMBL29638359

SCHEMBL29638359

O=C(Nc1cc2c(cn1)c(=O)[nH]n2-c1cccc(OC(F)(F)F)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
BRAF P15056 4/20 0.47
SLC5A1 P13866 13/20 0.46
GSK3B P49841 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL29638393 0.90 GSK3B (0.45) KDRBRAFGSK3B
SCHEMBL24557275 0.90 GSK3B (0.45) KDRBRAFGSK3B
SCHEMBL29638382 0.87 ABL1 (0.53) GSK3B
SCHEMBL29638419 0.87 TRPV1 (0.50) KDRBRAFSLC5A1
SCHEMBL24557247 0.85 ABL1 (0.48) GSK3B
SCHEMBL29638385 0.84 ABL1 (0.47) GSK3B
SCHEMBL29638461 0.81 DEGS1 (0.51)
SCHEMBL29638418 0.80 ABL1 (0.44) GSK3B
SCHEMBL29638459 0.79 ABL1 (0.55) GSK3B
SCHEMBL29638399 0.79 BTK (0.43)

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
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed