SCHEMBL22342930

SCHEMBL22342930

CNc1cc(Cl)nc2c(CNCC(C)(C)CO)cnn12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.39
▸ CDK2 P24941 2/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ CCNE1 P24864 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL22324084 0.78 TYK2 (0.61) TYK2
SCHEMBL17980683 0.70 GSK3B (0.47) TYK2CDK2GSK3BCCNE1PDE2A
SCHEMBL23772369 0.69 CDK2 (0.46) TYK2CDK2GSK3BCCNE1PDE2A
SCHEMBL20689133 0.68 CDK2 (0.45) TYK2CDK2GSK3BCCNE1PDE2A
SCHEMBL14543039 0.68 GSK3B (0.61) CDK2GSK3B
SCHEMBL22342896 0.67 KDM4E (0.50) TYK2CDK2
SCHEMBL22103759 0.67 CDK2 (0.40) TYK2CDK2GSK3BCCNE1
SCHEMBL26253848 0.65 PKM (0.42) TYK2CDK2GSK3B
SCHEMBL21947188 0.65 TYK2 (0.61) TYK2
SCHEMBL20689018 0.64 KDM4E (0.52) TYK2CDK2

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-2020163778-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-08-13 — — WO disclosed
Send feedback