SCHEMBL22858747

SCHEMBL22858747

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CCC#N)cc4)c3n2)cc2c1CCN(C)C2

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 10/20 0.70
▸ ROCK2 O75116 1/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33

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
SCHEMBL29607897 1.00 MAP4K1 (0.70) MAP4K1ROCK2MAPK1JAK2JAK1
SCHEMBL22858709 0.92 MAP4K1 (0.75) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858685 0.88 MAP4K1 (0.86) MAP4K1MAPK1MAP3K11TNIK
SCHEMBL29608972 0.88 MAP4K1 (0.86) MAP4K1MAPK1MAP3K11TNIK
SCHEMBL22858787 0.88 MAP4K1 (0.70) MAP4K1MAPK1EGLN1
SCHEMBL29608776 0.88 MAP4K1 (0.70) MAP4K1MAPK1EGLN1
SCHEMBL22858775 0.87 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858708 0.87 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858869 0.87 MAP4K1 (0.81) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22858774 0.87 MAP4K1 (0.72) 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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