SCHEMBL24961727

SCHEMBL24961727

CCOc1ccccc1Nc1cc(NC)n2ncc(C(O)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.46
▸ TP53 P04637 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL21811202 0.84 TYK2 (0.60) TYK2STAT3MEN1KMT2APDE4D
SCHEMBL30349550 0.84 TYK2 (0.60) TYK2STAT3MEN1KMT2APDE4D
SCHEMBL21887788 0.82 TYK2 (0.53) TYK2TP53STAT3HPGDPDE4D
SCHEMBL21887360 0.76 TYK2 (0.52) TYK2STAT3PDE4D
SCHEMBL24961646 0.75 TYK2 (0.51) TYK2STAT3PDE4D
SCHEMBL21811191 0.74 TYK2 (0.61) TYK2STAT3HPGDPDE4DALDH1A1
SCHEMBL30349558 0.74 TYK2 (0.61) TYK2STAT3HPGDPDE4DALDH1A1
SCHEMBL24961657 0.73 TYK2 (0.55) TYK2STAT3MAPK10GAAPDE4D
SCHEMBL21887515 0.73 TYK2 (0.84) TYK2STAT3PDE4D
SCHEMBL21811321 0.73 TYK2 (0.84) TYK2STAT3PDE4D

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
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
Send feedback