SCHEMBL31398949

SCHEMBL31398949

CC(C)(C)OC(=O)N1CCn2c(c(I)c3c(N)ncnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.44
▸ SRC P12931 7/20 0.44
▸ EGFR P00533 3/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ ABL1 P00519 2/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ TGFBR1 P36897 2/20 0.38
▸ RET P07949 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ PTPN11 Q06124 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
SCHEMBL31398986 0.87 MAP4K4 (0.44) MAP4K4SRCEGFRPIK3CDABL1
SCHEMBL31398880 0.87 POLB (0.42) MAP4K4SRCEGFRPIK3CDNR1H2
SCHEMBL31398992 0.77 FGFR2 (0.46) SRCEGFRABL1ABL2KDR
SCHEMBL31398952 0.76 POLB (0.42) MAP4K4SRCEGFRPIK3CDNR1H2
SCHEMBL22347133 0.76 MAP4K4 (0.53) MAP4K4SRCEGFRPIK3CDABL1
SCHEMBL22359270 0.76 MAP4K4 (0.46) MAP4K4SRCEGFRPIK3CDABL1
SCHEMBL31308148 0.76 MAP4K4 (0.53) MAP4K4SRCEGFRPIK3CDABL1
SCHEMBL31398872 0.73 SRC (0.54) SRCEGFRPIK3CDABL1ABL2
SCHEMBL31398881 0.73 SRC (0.54) SRCEGFRPIK3CDABL1ABL2
SCHEMBL25283747 0.70 FLT3 (0.47) MAP4K4SRCEGFRPIK3CDABL1

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-119176813-A Tricyclic heterocyclic compound with FGFR inhibition effect, pharmaceutical composition containing tricyclic heterocyclic compound and application of pharmaceutical composition 上海科恩泰生物医药科技有限公司 2024-12-24 — — CN disclosed
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