SCHEMBL22858707

SCHEMBL22858707

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCCC5)cc4)c3n2)cc2c1CCN(C)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.59
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ MAP3K11 Q16584 2/20 0.43
▸ HPGD P15428 6/20 0.42
▸ SYK P43405 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL22859140 0.92 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858763 0.90 MAP4K1 (0.72) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29911361 0.89 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858710 0.89 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859127 0.88 MAP4K1 (0.70) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858778 0.87 JAK2 (0.54) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28713785 0.84 MAP4K1 (0.55) MAP4K1JAK2JAK1JAK3SYK
SCHEMBL22859025 0.83 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859128 0.83 MAP4K1 (0.65) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858900 0.83 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3

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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