SCHEMBL26106002

SCHEMBL26106002

CC(C)(C)OC(=O)N1CCC2(CC=C(c3c(-c4ccc(OC5CC5)cc4)c4c(N)ncnc4n3C(F)F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.42
▸ CHEK2 O96017 2/20 0.40
▸ EGFR P00533 3/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ RET P07949 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL30582570 1.00 SRC (0.42) SRCCHEK2EGFRTGFBR1ABL1
SCHEMBL30582600 0.90 SRC (0.44) SRCCHEK2EGFRTGFBR1ABL1
SCHEMBL26104706 0.90 SRC (0.44) SRCCHEK2EGFRTGFBR1ABL1
SCHEMBL30582507 0.88 BTK (0.43) EGFR
SCHEMBL26105815 0.85 LCK (0.37) SRCKDR
SCHEMBL30582628 0.85 LCK (0.37) SRCKDR
SCHEMBL26104676 0.84 MAP4K4 (0.38) SRCEGFRTGFBR1ABL1ABL2
SCHEMBL30582554 0.84 MAP4K4 (0.38) SRCEGFRTGFBR1ABL1ABL2
SCHEMBL26108992 0.83 LCK (0.33) EGFRRETKDR
SCHEMBL30582647 0.83 SRC (0.41) SRCEGFRTGFBR1ABL1ABL2

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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