SCHEMBL25284382

SCHEMBL25284382

COc1ccc(Nc2cc(Nc3cc(C)nc(C)n3)ncn2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ EGFR P00533 3/20 0.50
▸ ERBB3 P21860 3/20 0.50
▸ ABCB1 P08183 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ USP2 O75604 1/20 0.44

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 0.87 EGFR (0.48) HPGDEGFRERBB3GAAMAPT
SCHEMBL25238174 0.87 NPC1 (0.44) HPGDEGFRERBB3ABCB1ABCG2
SCHEMBL25293421 0.85 GAA (0.53) HPGDEGFRERBB3GAAMEN1
SCHEMBL25242828 0.84 LRRK2 (0.47) HPGDEGFRERBB3ABCB1ABCG2
SCHEMBL25241385 0.80 TTK (0.42) EGFRERBB3ABCB1ABCG2
SCHEMBL25242554 0.80 POLB (0.47) EGFRERBB3GAAMEN1KMT2A
SCHEMBL25287907 0.80 TTK (0.42) EGFRGABRG2GABRB3GABRA5
SCHEMBL25239490 0.80 LRRK2 (0.52) —
SCHEMBL25242524 0.79 KMT2A (0.66) EGFRERBB3ABCB1ABCG2MEN1
SCHEMBL25245407 0.78 GRM5 (0.41) EGFRERBB3ABCB1ABCG2GAA

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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