SCHEMBL21887360

SCHEMBL21887360

CCOc1ccccc1Nc1cc(NC)n2ncc(C(=O)NCC(=O)N(C)CC)c2n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.52
▸ STAT3 P40763 1/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ PDE4D Q08499 1/20 0.49

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
SCHEMBL24961646 0.94 TYK2 (0.51) TYK2STAT3JAK1PDE4D
SCHEMBL21887357 0.93 TYK2 (0.58) TYK2STAT3JAK1PDE4D
SCHEMBL24961733 0.87 TYK2 (0.57) TYK2STAT3JAK1PDE4D
SCHEMBL23759204 0.86 TYK2 (0.63) TYK2STAT3JAK1PDE4D
SCHEMBL21811202 0.85 TYK2 (0.60) TYK2STAT3PDE4D
SCHEMBL30349550 0.85 TYK2 (0.60) TYK2STAT3PDE4D
SCHEMBL22103742 0.83 TYK2 (0.49) TYK2STAT3JAK1PDE4D
SCHEMBL21887788 0.82 TYK2 (0.53) TYK2STAT3JAK1PDE4D
SCHEMBL23759209 0.81 TYK2 (0.50) TYK2STAT3JAK1PDE4D
SCHEMBL22103745 0.81 TYK2 (0.63) TYK2STAT3JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849981-B1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS LILLY CO ELI (US) 2023-02-01 — — EP disclosed
WO-2020055636-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY (US) 2020-03-19 — — WO disclosed
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