SCHEMBL22858827

SCHEMBL22858827

COc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)C[C@H](C)O)cc2)cn3S(=O)(=O)c2ccc(C)cc2)cc2c1CN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.45
▸ JAK2 O60674 4/20 0.35
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ UBE2N P61088 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAP3K5 Q99683 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
SCHEMBL28711884 1.00 MAP4K1 (0.45) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28711881 1.00 MAP4K1 (0.45) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609137 1.00 MAP4K1 (0.45) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608137 1.00 MAP4K1 (0.45) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608662 0.93 MAP4K1 (0.43) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29607729 0.91 MAP4K1 (0.42) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28701343 0.89 MAP4K1 (0.42) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28591516 0.89 PTPN11 (0.43) MAP4K1PTPN11MAPT
SCHEMBL28591515 0.89 PTPN11 (0.43) MAP4K1PTPN11MAPT
SCHEMBL28917754 0.89 PTPN11 (0.43) MAP4K1PTPN11MAPT

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 4 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
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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