SCHEMBL30582619

SCHEMBL30582619

[2H]C([2H])([2H])Oc1ccc(-c2cn(C)c3ncnc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.57
▸ KDR P35968 10/20 0.57
▸ EGFR P00533 3/20 0.57
▸ ABL1 P00519 2/20 0.57
▸ ABL2 P42684 2/20 0.57
▸ LCK P06239 10/20 0.56
▸ TEK Q02763 10/20 0.56
▸ RIPK2 O43353 2/20 0.53
▸ EIF2AK3 Q9NZJ5 1/20 0.48

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
SCHEMBL22676745 0.91 SRC (0.67) SRCKDREGFRABL1ABL2
SCHEMBL18044717 0.82 KDR (0.59) SRCKDREGFRABL1ABL2
SCHEMBL7005521 0.82 LCK (0.72) SRCKDREGFRABL1ABL2
SCHEMBL22418477 0.80 TEK (0.52) SRCKDREGFRABL1ABL2
SCHEMBL23917434 0.80 SRC (0.61) SRCKDREGFRABL1ABL2
SCHEMBL26110170 0.80 AXL (0.63) SRCKDREGFRABL1ABL2
SCHEMBL13020096 0.80 SRC (0.69) SRCKDREGFRABL1ABL2
SCHEMBL30582589 0.80 AXL (0.63) SRCKDREGFRABL1ABL2
SCHEMBL16202367 0.79 SRC (0.67) SRCKDREGFRABL1ABL2
SCHEMBL5016910 0.78 PIK3CD (0.65) SRCKDREGFRABL1ABL2

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 2 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
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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