SCHEMBL23759209

SCHEMBL23759209

CCN(C)C(=O)CNC(=O)c1cnn2c(NC)cc(Nc3cc(C)cc(C)n3)nc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ JAK1 P23458 1/20 0.42
▸ STAT3 P40763 1/20 0.42

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
SCHEMBL22103742 0.90 TYK2 (0.49) TYK2PDE4DJAK1STAT3
SCHEMBL24984727 0.83 TYK2 (0.48) TYK2PDE4DJAK1STAT3
SCHEMBL23759204 0.82 TYK2 (0.63) TYK2PDE4DJAK1STAT3
SCHEMBL21887360 0.81 TYK2 (0.52) TYK2PDE4DJAK1STAT3
SCHEMBL21887357 0.81 TYK2 (0.58) TYK2PDE4DJAK1STAT3
SCHEMBL22103745 0.77 TYK2 (0.63) TYK2JAK1STAT3
SCHEMBL22343290 0.77 TYK2 (0.65) TYK2PDE4DJAK1
SCHEMBL22324403 0.76 TYK2 (0.69) TYK2PDE4DJAK1
SCHEMBL24961646 0.75 TYK2 (0.51) TYK2PDE4DJAK1STAT3
SCHEMBL24961733 0.75 TYK2 (0.57) TYK2PDE4DJAK1STAT3

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-2021162944-A1 SUBSTITUTED 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2021-08-19 — — WO disclosed
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