SCHEMBL20689464

SCHEMBL20689464

CCOC(=O)c1c(C)nn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.41
▸ PDE4D Q08499 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL20689444 0.87 TYK2 (0.52) TYK2PDE4DJAK1
SCHEMBL20687914 0.79 TYK2 (0.56) TYK2PDE4DJAK1
SCHEMBL20689636 0.78 TYK2 (0.49) TYK2PDE4DJAK1
SCHEMBL20689084 0.78 TYK2 (0.57) TYK2PDE4DJAK1
SCHEMBL20688882 0.78 TYK2 (0.55) TYK2
SCHEMBL21285358 0.77 TYK2 (0.41) TYK2PDE4DJAK1
SCHEMBL20689073 0.76 TYK2 (0.53) TYK2PDE4DJAK1
SCHEMBL20688947 0.75 TYK2 (0.73) TYK2PDE4DJAK1
SCHEMBL20697381 0.74 TYK2 (0.55) TYK2PDE4DJAK1
SCHEMBL21755342 0.73 TYK2 (0.55) 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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