SCHEMBL29407798

SCHEMBL29407798

C[C@H]1CC(O)(c2cc3c(N)ncnc3n2C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ SRC P12931 15/20 0.36
▸ EGFR P00533 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ HCK P08631 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ ABL2 P42684 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
SCHEMBL22676086 1.00 MAP4K4 (0.39) MAP4K4LRRK2JAK2SRCEGFR
SCHEMBL29407741 0.89 JAK2 (0.36) MAP4K4JAK2PIK3CD
SCHEMBL22676756 0.89 JAK2 (0.36) MAP4K4JAK2PIK3CD
SCHEMBL22658544 0.86 LRRK2 (0.42) LRRK2PI4KB
SCHEMBL22676912 0.76 MAP4K4 (0.43) MAP4K4LRRK2JAK2SRCPIK3CD
SCHEMBL29452487 0.76 MAP4K4 (0.43) MAP4K4LRRK2JAK2SRCPIK3CD
SCHEMBL22658747 0.74 — —
SCHEMBL29407675 0.69 POLB (0.37) JAK2PIK3CD
SCHEMBL22676898 0.69 POLB (0.37) JAK2PIK3CD
SCHEMBL22659184 0.68 SRC (0.49) LRRK2SRCEGFRPIK3CDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874707-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2025-04-25 — — CN disclosed
CN-114126620-B FGFR inhibitors and methods of use thereof 传达治疗有限公司 2024-12-31 — — CN disclosed
CN-114126620-A FGFR inhibitors and methods of use thereof 传达治疗有限公司 2022-03-01 — — CN disclosed
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