SCHEMBL20689692

SCHEMBL20689692

CCO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)CC)cc(Nc3cccn(-c4ccccn4)c3=O)nc12

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.81
▸ JAK1 P23458 2/20 0.69
▸ JAK2 O60674 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ STAT3 P40763 1/20 0.56

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
SCHEMBL20689693 0.91 TYK2 (0.74) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20697080 0.91 TYK2 (0.74) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20689691 0.91 TYK2 (0.74) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20689690 0.89 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20688983 0.89 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20688739 0.89 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20697079 0.89 TYK2 (1.00) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21947232 0.84 TYK2 (0.75) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21961707 0.84 TYK2 (0.75) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL20689694 0.83 TYK2 (0.63) TYK2

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-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — WO disclosed
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