SCHEMBL22859140

SCHEMBL22859140

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC(O)C5)cc4)c3n2)cc2c1CCN(C)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 6/20 0.57
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ MAP3K11 Q16584 3/20 0.40
▸ SYK P43405 2/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL22858707 0.92 MAP4K1 (0.59) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22859128 0.92 MAP4K1 (0.65) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858710 0.89 MAP4K1 (0.53) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL29911361 0.89 MAP4K1 (0.53) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22859127 0.86 MAP4K1 (0.70) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858900 0.84 MAP4K1 (0.49) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858778 0.84 JAK2 (0.54) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL22858768 0.84 MAP4K1 (0.75) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL29608700 0.84 MAP4K1 (0.75) MAP4K1JAK2JAK1JAK3TYK2
SCHEMBL21592746 0.82 MAP4K1 (0.54) MAP4K1JAK2JAK1JAK3TYK2

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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