SCHEMBL22858702

SCHEMBL22858702

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@H](C)O)cc4)c3n2)cc2c1CCN(CCN1CCOCC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 1.00
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 1/20 0.38
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 4/20 0.37
▸ TYK2 P29597 4/20 0.37
▸ JAK3 P52333 4/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL22858712 1.00 MAP4K1 (1.00) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL22858703 1.00 MAP4K1 (1.00) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL29608772 1.00 MAP4K1 (1.00) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL29608815 1.00 MAP4K1 (1.00) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL22858854 0.95 MAP4K1 (0.90) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL22859156 0.92 MAP4K1 (0.86) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL22858711 0.91 MAP4K1 (0.83) MAP4K1MAPK1CYP3A4JAK2JAK1
SCHEMBL22858775 0.90 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858869 0.90 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858708 0.90 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2

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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