SCHEMBL31399003

SCHEMBL31399003

CC1Cn2c(c(Br)c3c(N)ncnc32)C(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.41
▸ EGFR P00533 4/20 0.41
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 3/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PI4KB Q9UBF8 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
SCHEMBL29452532 0.77 SRC (0.44) SRCEGFRMAP4K4PIK3CD
SCHEMBL22676957 0.77 SRC (0.44) SRCEGFRMAP4K4PIK3CD
SCHEMBL22658709 0.73 SRC (0.52) SRCEGFRABL1ABL2PIK3CD
SCHEMBL29407628 0.73 SRC (0.52) SRCEGFRABL1ABL2PIK3CD
SCHEMBL31398986 0.72 MAP4K4 (0.44) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL31398896 0.70 SRC (0.44) SRCEGFRABL1ABL2
SCHEMBL15914116 0.69 JAK2 (0.51) SRCEGFRMAP4K4ABL1PIK3CD
SCHEMBL31398885 0.69 SRC (0.39) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL31398872 0.69 SRC (0.54) SRCEGFRABL1ABL2PIK3CD
SCHEMBL31398881 0.69 SRC (0.54) 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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