SCHEMBL26109440

SCHEMBL26109440

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2ncccn2)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.40
▸ EGFR P00533 3/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ TGFBR1 P36897 1/20 0.35
▸ RET P07949 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ KIT P10721 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL30582562 1.00 SRC (0.40) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL31219425 0.91 SRC (0.40) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL30582563 0.90 SRC (0.36) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL26109332 0.90 SRC (0.36) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL30582567 0.90 SRC (0.36) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL26105703 0.90 SRC (0.36) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL30582595 0.89 SRC (0.39) SRCEGFRABL1ABL2TGFBR1
SCHEMBL26110909 0.89 SRC (0.39) SRCEGFRABL1ABL2TGFBR1
SCHEMBL30582566 0.88 KIT (0.46) SRCEGFRMAP4K4ABL1ABL2
SCHEMBL26107573 0.88 KIT (0.46) SRCEGFRMAP4K4ABL1ABL2

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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