SCHEMBL25287907

SCHEMBL25287907

COc1cc(-c2cn(C)cn2)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 18/20 0.42
▸ EGFR P00533 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL25243633 0.83 TYK2 (0.47) TTK
SCHEMBL25239490 0.82 LRRK2 (0.52) TTK
SCHEMBL25286881 0.80 TTK (0.57) TTK
SCHEMBL25284382 0.80 HPGD (0.51) EGFRGABRG2GABRB3GABRA5
SCHEMBL25241385 0.79 TTK (0.42) TTKEGFR
SCHEMBL25238174 0.79 NPC1 (0.44) TTKEGFR
SCHEMBL25283961 0.79 EGFR (0.48) TTKEGFR
SCHEMBL25289693 0.78 S1PR1 (0.39) TTK
SCHEMBL25293421 0.77 GAA (0.53) EGFR
SCHEMBL25242828 0.76 LRRK2 (0.47) TTKEGFR

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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