SCHEMBL30475043

SCHEMBL30475043

Cc1cc(Nc2cc(Nc3ccc(C(=O)N(C)C)cc3N(C)S(C)(=O)=O)ncn2)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.47
▸ AKR1C3 P42330 1/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AURKA O14965 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ TP53 P04637 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
SCHEMBL25285748 1.00 TYK2 (0.47) TYK2AKR1C3CLK4CYP1A2CYP2C9
SCHEMBL25250500 0.86 TYK2 (0.52) TYK2AKR1C3POLBGAAALDH1A1
SCHEMBL25242771 0.84 TYK2 (0.50) TYK2AKR1C3POLBGAA
SCHEMBL25243819 0.82 TYK2 (0.66) TYK2AKR1C3POLBGAA
SCHEMBL25241314 0.81 TYK2 (0.48) TYK2AKR1C3POLBGAA
SCHEMBL25243602 0.80 TYK2 (0.49) TYK2
SCHEMBL25246852 0.80 TYK2 (0.47) TYK2AKR1C3POLBGAAALDH1A1
SCHEMBL25292402 0.79 TYK2 (0.50) TYK2AKR1C3POLBGAA
SCHEMBL25244500 0.78 TYK2 (0.53) TYK2
SCHEMBL25286983 0.78 TYK2 (0.50) TYK2AKR1C3POLBGAA

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 1 patent. 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
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