SCHEMBL31399002

SCHEMBL31399002

CC(C)(C)OC(=O)N1CCC(N2Cc3c(Br)c4c(N)ncnc4n3CC2=O)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.53
▸ EGFR P00533 3/20 0.53
▸ ABL1 P00519 2/20 0.49
▸ ABL2 P42684 2/20 0.49
▸ USP30 Q70CQ3 2/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ RET P07949 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 2/20 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
SCHEMBL31398985 0.90 SRC (0.43) SRCEGFRABL1ABL2USP30
SCHEMBL31398872 0.86 SRC (0.54) SRCEGFRABL1ABL2TGFBR1
SCHEMBL31398881 0.86 SRC (0.54) SRCEGFRABL1ABL2TGFBR1
SCHEMBL31398996 0.81 SRC (0.50) SRCEGFRABL1ABL2USP30
SCHEMBL31398986 0.79 MAP4K4 (0.44) SRCEGFRABL1ABL2TGFBR1
SCHEMBL19731351 0.76 SRC (0.61) SRCEGFRABL1ABL2PIK3CD
SCHEMBL18599165 0.76 SRC (0.61) SRCEGFRABL1ABL2PIK3CD
SCHEMBL14706373 0.74 EGFR (0.60) SRCEGFRABL1ABL2PIK3CD
SCHEMBL22658709 0.74 SRC (0.52) SRCEGFRABL1ABL2TGFBR1
SCHEMBL4824842 0.74 EGFR (0.60) SRCEGFRABL1ABL2PIK3CD

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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