SCHEMBL28717567

SCHEMBL28717567

CSc1nnc(C(N)=O)c(Nc2ccccc2C#N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.44
▸ THRB P10828 1/20 0.39
▸ AURKA O14965 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL29557855 1.00 SYK (0.44) SYKTHRBAURKAL3MBTL1TSHR
SCHEMBL28720668 0.84 ALDH1A1 (0.48) SYKL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL29558137 0.84 ALDH1A1 (0.48) SYKL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL25416754 0.79 PPARG (0.47) AURKAL3MBTL1MEN1MAPTKMT2A
SCHEMBL29557791 0.79 PPARG (0.47) AURKAL3MBTL1MEN1MAPTKMT2A
SCHEMBL23461740 0.74 SLC2A1 (0.57) SYKAURKAMAPTMAPK1KMT2A
SCHEMBL15395341 0.73 SYK (0.61) SYK
SCHEMBL16743228 0.72 SYK (0.74) SYK
SCHEMBL18283748 0.70 RAB9A (0.41) SYKL3MBTL1MEN1MAPTMAPK1
SCHEMBL16764284 0.69 KDR (0.47) SYKL3MBTL1TSHRMEN1MAPT

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-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 — — CN disclosed
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