SCHEMBL25288885

SCHEMBL25288885

COc1c(C)cccc1Nc1cc(Nc2cc(C)nc(C)n2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TYK2 P29597 10/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ AKR1C3 P42330 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ ERBB3 P21860 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL25242554 0.89 POLB (0.47) POLBGAATYK2JAK1EGFR
SCHEMBL25244650 0.88 TYK2 (0.59) POLBGAATYK2JAK1MAPT
SCHEMBL25288507 0.88 POLB (0.46) POLBGAATYK2JAK1AKR1C3
SCHEMBL25288626 0.85 TYK2 (0.45) POLBGAATYK2JAK1EGFR
SCHEMBL25292550 0.85 TYK2 (0.44) POLBGAATYK2JAK1EGFR
SCHEMBL25283977 0.85 TYK2 (0.50) POLBGAATYK2JAK1
SCHEMBL25239536 0.84 TYK2 (0.47) POLBGAATYK2JAK1AKR1C3
SCHEMBL25248111 0.83 TYK2 (0.65) POLBGAATYK2JAK1
SCHEMBL25293421 0.82 GAA (0.53) POLBGAATYK2JAK1EGFR
SCHEMBL25282403 0.81 GRM5 (0.43) POLBGAATYK2JAK1AKR1C3

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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