SCHEMBL26105368

SCHEMBL26105368

Cn1c(C2=CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.40
▸ EGFR P00533 4/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ BTK Q06187 10/20 0.38
▸ TNK2 Q07912 1/20 0.36
▸ KDR P35968 3/20 0.36
▸ RET P07949 2/20 0.36
▸ LCK P06239 2/20 0.35
▸ TEK Q02763 2/20 0.35
▸ BLK P51451 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BMX P51813 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35

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
SCHEMBL30582573 1.00 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL26105312 0.96 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL30582598 0.96 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL30582586 0.94 SRC (0.41) SRCEGFRABL1ABL2BTK
SCHEMBL26108691 0.94 SRC (0.41) SRCEGFRABL1ABL2BTK
SCHEMBL26587204 0.88 CYP3A4 (0.40) EGFRBTKRETBLKERBB2
SCHEMBL26587174 0.88 BTK (0.47) EGFRBTKRETBLKERBB2
SCHEMBL26587463 0.86 RET (0.41) EGFRBTKKDRRETBLK
SCHEMBL30582498 0.85 BTK (0.50) EGFRBTKRETBLKERBB2
SCHEMBL26106734 0.84 LCK (0.38) SRCEGFRBTKKDRRET

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
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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