SCHEMBL25293423

SCHEMBL25293423

Cc1cc(Nc2cc(Nc3ccccc3P(C)(C)=O)ncn2)nc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ AKR1C3 P42330 1/20 0.41
▸ TYK2 P29597 5/20 0.39
▸ MAP4K1 Q92918 2/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 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
SCHEMBL25242417 0.83 POLB (0.40) POLBGAAAKR1C3TYK2IGF1R
SCHEMBL31247590 0.80 MAPK10 (0.43) POLBTYK2MAP4K1IGF1RCDK7
SCHEMBL25285692 0.78 TYK2 (0.59) POLBGAATYK2TNNI3KJAK1
SCHEMBL25293421 0.78 GAA (0.53) POLBGAATYK2TNNI3KMAPT
SCHEMBL25243670 0.75 POLB (0.48) POLBGAAAKR1C3TYK2TNNI3K
SCHEMBL25242779 0.75 POLB (0.48) POLBGAAAKR1C3TYK2TNNI3K
SCHEMBL25243819 0.75 TYK2 (0.66) POLBGAAAKR1C3TYK2TNNI3K
SCHEMBL25243614 0.74 TYK2 (0.52) POLBGAAAKR1C3TYK2TNNI3K
SCHEMBL25287175 0.74 POLB (0.49) POLBGAAAKR1C3TYK2TNNI3K
SCHEMBL25288885 0.73 POLB (0.48) POLBGAAAKR1C3TYK2TNNI3K

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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