SCHEMBL30582584

SCHEMBL30582584

COc1cccc(-c2c(C3=CCC4(CCNCC4)CC3)n(C)c3ncnc(N)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.47
▸ EGFR P00533 12/20 0.47
▸ ABL1 P00519 11/20 0.47
▸ ABL2 P42684 10/20 0.47
▸ CDK1 P06493 2/20 0.44
▸ EPHB4 P54760 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ LCK P06239 1/20 0.38
▸ LYN P07948 1/20 0.38

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
SCHEMBL26109072 1.00 SRC (0.47) SRCEGFRABL1ABL2CDK1
SCHEMBL30582544 0.89 SRC (0.44) SRCEGFRABL1ABL2EPHB4
SCHEMBL26108026 0.89 SRC (0.44) SRCEGFRABL1ABL2EPHB4
SCHEMBL30582620 0.88 RIPK2 (0.40) SRCEGFRABL1ABL2PIK3CD
SCHEMBL26109630 0.88 RIPK2 (0.40) SRCEGFRABL1ABL2PIK3CD
SCHEMBL26109317 0.85 SRC (0.41) SRCEGFRABL1ABL2CDK1
SCHEMBL30582499 0.84 ITK (0.49) EGFR
SCHEMBL30582596 0.84 SRC (0.52) SRCEGFRABL1ABL2CDK1
SCHEMBL26108199 0.84 SRC (0.52) SRCEGFRABL1ABL2CDK1
SCHEMBL26107050 0.84 LCK (0.40) SRCEGFRKDRLCK

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
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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