SCHEMBL25241385

SCHEMBL25241385

COc1cc(-c2ncc(F)cn2)ccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.42
▸ EGFR P00533 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 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
SCHEMBL25283961 0.86 EGFR (0.48) TTKEGFRERBB3JAK1TYK2
SCHEMBL25289693 0.83 S1PR1 (0.39) TTK
SCHEMBL25243633 0.82 TYK2 (0.47) TTKJAK1TYK2
SCHEMBL25284382 0.80 HPGD (0.51) EGFRERBB3ABCB1ABCG2
SCHEMBL25241012 0.80 PSEN1 (0.41) TTK
SCHEMBL25283977 0.80 TYK2 (0.50) JAK1TYK2
SCHEMBL25238174 0.79 NPC1 (0.44) TTKEGFRERBB3ABCB1ABCC1
SCHEMBL25242828 0.79 LRRK2 (0.47) TTKEGFRERBB3ABCB1ABCC1
SCHEMBL25287907 0.79 TTK (0.42) TTKEGFR
SCHEMBL25293421 0.78 GAA (0.53) EGFRERBB3JAK1TYK2

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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