SCHEMBL25288626

SCHEMBL25288626

COc1c(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.45
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ERBB3 P21860 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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) TYK2POLBGAAJAK1
SCHEMBL25288885 0.85 POLB (0.48) TYK2POLBGAAJAK1EGFR
SCHEMBL25242554 0.84 POLB (0.47) TYK2POLBGAAJAK1JAK2
SCHEMBL25288507 0.83 POLB (0.46) TYK2POLBGAAJAK1EGFR
SCHEMBL25286968 0.81 TYK2 (0.46) TYK2POLBGAAJAK1
SCHEMBL25246327 0.81 TYK2 (0.52) TYK2JAK1
SCHEMBL25292550 0.80 TYK2 (0.44) TYK2POLBGAAJAK1EGFR
SCHEMBL25283977 0.80 TYK2 (0.50) TYK2POLBGAAJAK1CYP2C19
SCHEMBL25286198 0.79 TYK2 (0.45) TYK2POLBGAAJAK1JAK2
SCHEMBL25293421 0.78 GAA (0.53) TYK2POLBGAAJAK1JAK2

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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