SCHEMBL21948908

SCHEMBL21948908

CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(O)NC[C@@H]3CC[C@@H](OC)C3)cnn12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.66
▸ JAK1 P23458 2/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ STAT3 P40763 1/20 0.54

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
SCHEMBL21963007 0.89 TYK2 (0.75) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20687851 0.80 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21948495 0.80 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21854766 0.80 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20687868 0.75 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20697069 0.75 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20687862 0.75 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21227609 0.75 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL26497621 0.75 TYK2 (0.78) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21947780 0.74 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19

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-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO disclosed
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