SCHEMBL22858787

SCHEMBL22858787

COCCCN(C)C(=O)c1ccc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.70
▸ EGLN1 Q9GZT9 4/20 0.38
▸ ATR Q13535 2/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ SYK P43405 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
SCHEMBL29608776 1.00 MAP4K1 (0.70) MAP4K1EGLN1ATRCYP11B2AXL
SCHEMBL22858709 0.91 MAP4K1 (0.75) MAP4K1MAPK1
SCHEMBL22858897 0.88 MAP4K1 (0.63) MAP4K1EGLN1ATRCYP11B2AXL
SCHEMBL22858747 0.88 MAP4K1 (0.70) MAP4K1EGLN1MAPK1
SCHEMBL29607897 0.88 MAP4K1 (0.70) MAP4K1EGLN1MAPK1
SCHEMBL22858685 0.88 MAP4K1 (0.86) MAP4K1AXLMERTKMAPK1
SCHEMBL29608972 0.88 MAP4K1 (0.86) MAP4K1AXLMERTKMAPK1
SCHEMBL22858869 0.86 MAP4K1 (0.81) MAP4K1MAPK1
SCHEMBL22858774 0.86 MAP4K1 (0.72) MAP4K1MAPK1
SCHEMBL22858708 0.86 MAP4K1 (0.81) MAP4K1MAPK1

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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