SCHEMBL25904079

SCHEMBL25904079

CCCS(=O)(=O)n1cc(-c2nccc(N)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15742035 0.91 EGFR (0.38) EGFRIRAK4
SCHEMBL30911451 0.83 EGFR (0.47) EGFRIRAK4JAK2
SCHEMBL30616553 0.80 PIK3CD (0.42) EGFRIRAK4PIK3CD
SCHEMBL15741966 0.77 EGFR (0.52) EGFR
SCHEMBL16339442 0.76 EGFR (0.40) EGFR
SCHEMBL23753887 0.72 MTOR (0.43) IRAK4PIK3CD
SCHEMBL19015251 0.71 IRAK4 (0.38) IRAK4JAK2
SCHEMBL30042590 0.68 JAK2 (0.47) IRAK4PIK3CDJAK2JAK1
SCHEMBL30911637 0.66 PIK3CA (0.39) EGFRIRAK4PIK3CD
SCHEMBL27263226 0.65 PIK3CD (0.46) IRAK4PIK3CDJAK2JAK1

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
WO-2023134266-A1 2-PIPERIDYL OR 2-PYRAZOLYL SUBSTITUTED PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR 苏州浦合医药科技有限公司 2023-07-20 — — WO disclosed
Send feedback