SCHEMBL26108002

SCHEMBL26108002

COc1ccc(-c2c(C3=CCC4(CC3)CCN(C=CC=O)CC4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.37
▸ EGFR P00533 4/20 0.37
▸ KDR P35968 4/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ ABL2 P42684 2/20 0.37
▸ RIPK2 O43353 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ TEK Q02763 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 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
SCHEMBL26109846 0.92 KCNH2 (0.36) EGFRKDRTEKBTKBLK
SCHEMBL26109317 0.91 SRC (0.41) SRCEGFRKDRABL1ABL2
SCHEMBL26105801 0.91 PTPN11 (0.35) EGFRKDRFGFR2TEKBTK
SCHEMBL26108781 0.90 BTK (0.35) EGFRKDRRIPK2FGFR2TEK
SCHEMBL26109060 0.90 BTK (0.35) EGFRKDRTEKBTKBLK
SCHEMBL26107996 0.90 ITK (0.35) PIK3CDBTKITKRET
SCHEMBL26106100 0.89 — —
SCHEMBL26106955 0.89 ADORA2A (0.38) SRCEGFRKDRTEKFLT3
SCHEMBL26109353 0.87 RET (0.32) SRCEGFRKDRABL1PIK3CD
SCHEMBL26107761 0.86 BTK (0.35) EGFRKDRTEKBTKBLK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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