SCHEMBL28709869

SCHEMBL28709869

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C(=O)N(C)CC(C)O)cc3)c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.56
▸ PTPN11 Q06124 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ UBE2N P61088 1/20 0.30
▸ AGTR1 P30556 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
SCHEMBL28717476 1.00 MAP4K1 (0.56) MAP4K1PTPN11MAPTJAK2JAK1
SCHEMBL29609249 1.00 MAP4K1 (0.56) MAP4K1PTPN11MAPTJAK2JAK1
SCHEMBL28709868 1.00 MAP4K1 (0.56) MAP4K1PTPN11MAPTJAK2JAK1
SCHEMBL29608109 1.00 MAP4K1 (0.56) MAP4K1PTPN11MAPTJAK2JAK1
SCHEMBL29609242 0.94 MAP4K1 (0.53) MAP4K1PTPN11JAK2JAK1TYK2
SCHEMBL29608845 0.94 MAP4K1 (0.53) MAP4K1PTPN11JAK2JAK1TYK2
SCHEMBL28720145 0.91 MAP4K1 (0.69) MAP4K1PTPN11JAK2JAK1TYK2
SCHEMBL28701327 0.91 MAP4K1 (0.69) MAP4K1PTPN11JAK2JAK1TYK2
SCHEMBL29608035 0.91 MAP4K1 (0.69) MAP4K1PTPN11JAK2JAK1TYK2
SCHEMBL29607752 0.91 MAP4K1 (0.55) MAP4K1PTPN11JAK2JAK1TYK2

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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