SCHEMBL22601396

SCHEMBL22601396

Cc1cnn2c(N)nn(C)c(=O)c12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL24500017 0.79 CRHR1 (0.33)
SCHEMBL22601378 0.69 LMNA (0.31)
SCHEMBL24077320 0.66 CDK8 (0.40) CDK8ACVR1
SCHEMBL21363426 0.62 TRPA1 (0.36)
SCHEMBL19533290 0.62 CDK8 (0.34) CDK8ACVR1
SCHEMBL19544638 0.62 PDE4A (0.43) CDK8ACVR1
SCHEMBL12497715 0.61 BRD4 (0.46)
SCHEMBL16081467 0.61 SMN1; SMN2 (0.41) CDK8ACVR1
SCHEMBL2067300 0.60
SCHEMBL21353952 0.59 CYP1A2 (0.35)

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-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed