SCHEMBL25242417

SCHEMBL25242417

Cc1cc(Nc2cc(Nc3ncccc3P(C)(C)=O)ncn2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TYK2 P29597 3/20 0.39
▸ GRM5 P41594 5/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ LCK P06239 2/20 0.34
▸ FYN P06241 2/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ LTK P29376 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ CLK2 P49760 1/20 0.34

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
SCHEMBL25293423 0.83 POLB (0.51) POLBGAATYK2ABL1LCK
SCHEMBL25242188 0.79 TYK2 (0.45) POLBGAATYK2GRM5CYP1A2
SCHEMBL25294012 0.78 POLB (0.44) POLBGAATYK2GRM5CYP1A2
SCHEMBL25242937 0.77 TYK2 (0.35) POLBGAATYK2LCKIGF1R
SCHEMBL25249498 0.76 TYK2 (0.51) POLBGAATYK2GRM5CYP1A2
SCHEMBL25249691 0.76 TYK2 (0.42) POLBGAATYK2GRM5CYP1A2
SCHEMBL25286413 0.74 TYK2 (0.44) POLBGAATYK2GRM5CYP1A2
SCHEMBL25289237 0.72 GAA (0.39) POLBGAATYK2JAK2ABL1
SCHEMBL25282403 0.71 GRM5 (0.43) POLBGAATYK2GRM5JAK2
SCHEMBL30272066 0.71 LMNA (0.51) POLBGAATYK2CYP1A2HIF1A

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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