SCHEMBL25288507

SCHEMBL25288507

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TYK2 P29597 9/20 0.45
▸ EGFR P00533 3/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ ERBB3 P21860 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL25288885 0.88 POLB (0.48) POLBGAATYK2EGFRJAK1
SCHEMBL25242554 0.87 POLB (0.47) POLBGAATYK2EGFRJAK1
SCHEMBL25244650 0.86 TYK2 (0.59) POLBGAATYK2JAK1MAPT
SCHEMBL25288626 0.83 TYK2 (0.45) POLBGAATYK2EGFRJAK1
SCHEMBL25292550 0.83 TYK2 (0.44) POLBGAATYK2EGFRJAK1
SCHEMBL25283977 0.81 TYK2 (0.50) POLBGAATYK2JAK1
SCHEMBL25242097 0.81 TYK2 (0.52) POLBGAATYK2JAK1
SCHEMBL25293421 0.81 GAA (0.53) POLBGAATYK2EGFRJAK1
SCHEMBL25239536 0.80 TYK2 (0.47) POLBGAATYK2JAK1MAPT
SCHEMBL25286198 0.79 TYK2 (0.45) POLBGAATYK2EGFRJAK1

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
Send feedback