SCHEMBL25287175

SCHEMBL25287175

Cc1cc(Nc2cc(Nc3ccccc3OC(F)(F)F)ncn2)nc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 1/20 0.44
▸ TNNI3K Q59H18 3/20 0.42
▸ AURKA O14965 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ C1R P00736 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK10 P53779 2/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ TYK2 P29597 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
SCHEMBL25293421 0.85 GAA (0.53) POLBGAATP53TNNI3KAURKA
SCHEMBL25242554 0.78 POLB (0.47) POLBGAATP53TNNI3KMAPK10
SCHEMBL25283961 0.78 EGFR (0.48) POLBGAATP53TNNI3KMAPK10
SCHEMBL25242828 0.77 LRRK2 (0.47) POLBGAATHRBAKR1C3ABL1
SCHEMBL25288626 0.76 TYK2 (0.45) POLBGAATHRBTYK2
SCHEMBL25244650 0.74 TYK2 (0.59) POLBGAAMAPTTYK2
SCHEMBL25285692 0.74 TYK2 (0.59) POLBGAATNNI3KTYK2
SCHEMBL25293423 0.74 POLB (0.51) POLBGAATP53TNNI3KAKR1C3
SCHEMBL25288885 0.74 POLB (0.48) POLBGAATP53TNNI3KAKR1C3
SCHEMBL25284382 0.74 HPGD (0.51) GAAMAPTMEN1KMT2AL3MBTL1

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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