SCHEMBL31246488

SCHEMBL31246488

Cc1cc(-c2cnc3c(n2)c(-c2ccc(C(=O)N(C)C[C@@H](C)O)cc2)cn3S(=O)(=O)Cc2ccccc2)cc2c1CCN(CCN1CCOCC1)C2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.69
▸ CYP3A4 P08684 1/20 0.34
▸ JAK2 O60674 8/20 0.34
▸ JAK1 P23458 8/20 0.34
▸ TYK2 P29597 7/20 0.34
▸ JAK3 P52333 7/20 0.34
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL31246471 1.00 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28701328 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28701327 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29608035 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29609559 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL28720145 0.89 MAP4K1 (0.69) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL29930100 0.86 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858702 0.82 MAP4K1 (1.00) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL22858703 0.82 MAP4K1 (1.00) MAP4K1CYP3A4JAK2JAK1TYK2
SCHEMBL22858712 0.82 MAP4K1 (1.00) MAP4K1CYP3A4JAK2JAK1TYK2

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-115073474-B Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-10-18 — — CN disclosed
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