SCHEMBL22858993

SCHEMBL22858993

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3n2)cc2c1CCN(C)C2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.66
▸ MAP3K11 Q16584 2/20 0.39
▸ EGLN1 Q9GZT9 2/20 0.37
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ ATR Q13535 2/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ PAK1 Q13153 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
SCHEMBL29609616 1.00 MAP4K1 (0.66) MAP4K1MAP3K11EGLN1JAK2JAK1
SCHEMBL22858801 0.94 MAP4K1 (0.71) MAP4K1MAP3K11EGLN1JAK2JAK1
SCHEMBL29608808 0.94 MAP4K1 (0.71) MAP4K1MAP3K11EGLN1JAK2JAK1
SCHEMBL22858994 0.90 MAP4K1 (0.69) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL22858763 0.89 MAP4K1 (0.72) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592767 0.87 MAP4K1 (0.49) MAP4K1MAP3K11EGLN1JAK2JAK1
SCHEMBL22859025 0.86 MAP4K1 (0.49) MAP4K1MAP3K11EGLN1JAK2JAK1
SCHEMBL22858762 0.83 MAP4K1 (0.65) MAP4K1MAP3K11JAK3
SCHEMBL29911419 0.83 MAP4K1 (0.65) MAP4K1MAP3K11JAK3
SCHEMBL22858685 0.83 MAP4K1 (0.86) MAP4K1MAP3K11MAPK1PAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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