SCHEMBL29867706

SCHEMBL29867706

CCCCOC(=O)N1CCc2cc(Cn3nc(I)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL29867555 0.86 ESR2 (0.48) PIK3CDPIK3CGSRCEGFR
SCHEMBL20552990 0.86 ESR2 (0.48) PIK3CDPIK3CGSRCEGFR
SCHEMBL23150435 0.85 PIK3CD (0.43) PIK3CDPIK3CGJAK2JAK3JAK1
SCHEMBL29867532 0.82 MTOR (0.56) PIK3CDPIK3CG
SCHEMBL30405221 0.82 RET (0.46) PIK3CDABCB1PIK3CGJAK2JAK3
SCHEMBL25678080 0.76 PIK3CD (0.48) PIK3CDPIK3CGJAK2JAK3JAK1
SCHEMBL30405276 0.75 BTK (0.39) PIK3CDPIK3CGJAK2BTKEGFR
SCHEMBL30353312 0.75 JAK3 (0.50) JAK2JAK3JAK1FGFR1BTK
SCHEMBL21528189 0.75 ESR2 (0.46) JAK2JAK3SRC
SCHEMBL31046975 0.75 ESR2 (0.46) JAK2JAK3SRC

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
EP-4320101-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2024-02-14 — — EP disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
WO-2022216900-A2 SYNTHESIS OF RAPAMYCIN ANALOG COMPOUNDS Revolution Medicines, Inc. (US) 2022-10-13 — — WO disclosed
Send feedback