SCHEMBL26107573

SCHEMBL26107573

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2cccnc2)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.46
▸ SRC P12931 6/20 0.42
▸ EGFR P00533 3/20 0.42
▸ ABL1 P00519 2/20 0.40
▸ ABL2 P42684 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ RET P07949 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL30582566 1.00 KIT (0.46) KITSRCEGFRABL1ABL2
SCHEMBL30582562 0.88 SRC (0.40) KITSRCEGFRABL1ABL2
SCHEMBL26109440 0.88 SRC (0.40) KITSRCEGFRABL1ABL2
SCHEMBL26106956 0.87 HDAC2 (0.39) KITSRCEGFRABL1ABL2
SCHEMBL30582607 0.87 HDAC2 (0.39) KITSRCEGFRABL1ABL2
SCHEMBL26107804 0.87 SRC (0.42) KITSRCEGFRABL1ABL2
SCHEMBL30582630 0.87 SRC (0.42) KITSRCEGFRABL1ABL2
SCHEMBL30582604 0.87 SRC (0.40) SRCEGFRABL1ABL2RET
SCHEMBL30582636 0.87 HDAC2 (0.44) SRCEGFRABL1ABL2RET
SCHEMBL26134541 0.87 SRC (0.40) SRCEGFRABL1ABL2RET

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
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
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