SCHEMBL25283977

SCHEMBL25283977

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1-c1ncc(F)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.50
▸ JAK1 P23458 3/20 0.50
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL25244650 0.85 TYK2 (0.59) TYK2JAK1POLBGAA
SCHEMBL25288885 0.85 POLB (0.48) TYK2JAK1POLBGAA
SCHEMBL26523189 0.85 TYK2 (0.54) TYK2JAK1CYP2C19
SCHEMBL25239536 0.83 TYK2 (0.47) TYK2JAK1POLBGAA
SCHEMBL25248111 0.82 TYK2 (0.65) TYK2JAK1POLBGAA
SCHEMBL25289314 0.82 TYK2 (0.69) TYK2JAK1
SCHEMBL25242554 0.82 POLB (0.47) TYK2JAK1POLBGAA
SCHEMBL25242518 0.81 TYK2 (0.55) TYK2JAK1
SCHEMBL25242508 0.81 TYK2 (0.47) TYK2JAK1POLBGAA
SCHEMBL25288507 0.81 POLB (0.46) TYK2JAK1POLBGAA

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-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP claimed
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP disclosed
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