SCHEMBL21948906

SCHEMBL21948906

CO[C@H]1CCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(-c5ccccn5)c4=O)nc23)C1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.74
▸ JAK1 P23458 2/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL21962984 1.00 TYK2 (0.74) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21948907 1.00 TYK2 (0.74) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21961754 0.92 TYK2 (0.65) TYK2
SCHEMBL21964816 0.90 TYK2 (0.75) TYK2
SCHEMBL21948493 0.90 TYK2 (0.75) TYK2
SCHEMBL21961777 0.89 TYK2 (0.74) TYK2
SCHEMBL21948506 0.89 TYK2 (0.74) TYK2
SCHEMBL21960515 0.89 TYK2 (0.73) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21246167 0.89 TYK2 (0.73) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20689116 0.89 TYK2 (0.73) 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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