SCHEMBL27607938

SCHEMBL27607938

CNc1nc(SC)ncc1C[C]=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SYK P43405 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRB P10828 1/20 0.30

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
SCHEMBL16134092 0.83 LMNA (0.40) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL29541506 0.79 LMNA (0.39) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL1521534 0.79 LMNA (0.39) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL30346051 0.79 LMNA (0.39) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL3965244 0.79 LMNA (0.39) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL1521589 0.79 HTT (0.51) LMNAKDM4EHTTALDH1A1SYK
Hydrochloric Acid SCHEMBL3582648 0.78 LMNA (0.38) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL6207973 0.76 HTT (0.41) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL6208769 0.76 LMNA (0.37) LMNAKDM4EHTTALDH1A1SYK
SCHEMBL3820985 0.76 HTT (0.49) LMNAKDM4EHTTALDH1A1SYK

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
CN-100432073-C 6-alkoxy-pyrido-pyrimidines as p-38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-11-12 — — CN disclosed
CN-1675207-A 6-alkoxy-pyrido-pyrimidines as p-38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2005-09-28 — — CN disclosed
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