SCHEMBL30893059

SCHEMBL30893059

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CCN(CCC(=O)OC(C)(C)C)C5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.67
▸ TNIK Q9UKE5 1/20 0.36
▸ JAK2 O60674 5/20 0.35
▸ JAK1 P23458 5/20 0.35
▸ TYK2 P29597 5/20 0.35
▸ JAK3 P52333 5/20 0.35
▸ BTK Q06187 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL24954369 1.00 MAP4K1 (0.67) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24954367 0.94 MAP4K1 (0.58) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL30893068 0.91 MAP4K1 (0.66) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24955691 0.91 MAP4K1 (0.66) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24954370 0.90 MAP4K1 (0.72) MAP4K1TNIKJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL30215931 0.90 MAP4K1 (0.71) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL24954358 0.88 MAP4K1 (0.73) MAP4K1TNIKJAK2JAK1TYK2
SCHEMBL30893063 0.88 MAP4K1 (0.70) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24954299 0.88 MAP4K1 (0.70) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL30215947 0.88 MAP4K1 (0.70) 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
CN-118043324-A Pyrrolo [2,3-b ] pyrazine-based bifunctional compounds as HPK1 degradants and uses thereof 百济神州有限公司 2024-05-14 — — CN disclosed
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