SCHEMBL21887373

SCHEMBL21887373

COc1ccc(CN(C)c2cc(Nc3ccccc3O)nc3c(C(=O)NC4CCN(C)C4=O)cnn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.59
▸ STAT3 P40763 4/20 0.59
▸ HPGDS O60760 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
SCHEMBL21887786 0.93 TYK2 (0.69) TYK2STAT3HPGDS
SCHEMBL21887371 0.91 TYK2 (0.62) TYK2STAT3HPGDS
SCHEMBL30162010 0.91 TYK2 (0.62) TYK2STAT3HPGDS
SCHEMBL22092671 0.88 TYK2 (0.56) TYK2STAT3HPGDS
SCHEMBL22092695 0.87 TYK2 (0.69) TYK2STAT3
SCHEMBL21887372 0.84 TDP1 (0.44) TYK2
SCHEMBL28557220 0.82 TYK2 (0.71) TYK2STAT3HPGDS
SCHEMBL21887375 0.80 KDM4E (0.42) —
SCHEMBL21887376 0.79 TYK2 (0.81) TYK2STAT3
SCHEMBL30349442 0.79 TYK2 (0.77) TYK2STAT3

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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