SCHEMBL28720145

SCHEMBL28720145

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(=O)N(C)C[C@@H](C)O)cc3)c3nc(-c4cc(C)c5c(c4)CN(CCN4CCOCC4)CC5)cnc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.69
▸ CYP3A4 P08684 1/20 0.35
▸ JAK2 O60674 6/20 0.33
▸ JAK1 P23458 6/20 0.33
▸ TYK2 P29597 6/20 0.33
▸ JAK3 P52333 6/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ SRC P12931 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL29609559 1.00 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28701328 1.00 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28701327 1.00 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29608035 1.00 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29609249 0.91 MAP4K1 (0.56) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28709868 0.91 MAP4K1 (0.56) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29608109 0.91 MAP4K1 (0.56) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28709869 0.91 MAP4K1 (0.56) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28717476 0.91 MAP4K1 (0.56) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL31246488 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 — — CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 — — CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 — — CN disclosed
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