SCHEMBL25239490

SCHEMBL25239490

COc1cc(-c2nccn2C)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.52
▸ TTK P33981 18/20 0.49

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
SCHEMBL25287907 0.82 TTK (0.42) TTK
SCHEMBL25243633 0.81 TYK2 (0.47) TTK
SCHEMBL25286881 0.80 TTK (0.57) LRRK2TTK
SCHEMBL25284382 0.80 HPGD (0.51) —
SCHEMBL25241012 0.79 PSEN1 (0.41) LRRK2TTK
SCHEMBL25241385 0.79 TTK (0.42) TTK
SCHEMBL25238174 0.79 NPC1 (0.44) TTK
SCHEMBL25283961 0.79 EGFR (0.48) TTK
SCHEMBL25289693 0.78 S1PR1 (0.39) TTK
SCHEMBL25293421 0.77 GAA (0.53) —

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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