SCHEMBL30405231

SCHEMBL30405231

CC(C)(C)OC(=O)N1CCC(Cn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.62
JAK3 P52333 7/20 0.52
JAK2 O60674 6/20 0.52
JAK1 P23458 2/20 0.52
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR3 P22607 2/20 0.49
SRC P12931 3/20 0.47
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.46

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
SCHEMBL14617314 1.00 TGFBR1 (0.62) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL17267691 0.94 TGFBR1 (0.64) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL31046956 0.94 TGFBR1 (0.64) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL17267609 0.90 TGFBR1 (0.54) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL31046965 0.90 TGFBR1 (0.54) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL17267741 0.89 TGFBR1 (0.58) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL2965560 0.85 SRC (0.58) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL29503478 0.85 SRC (0.58) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL23150464 0.84 JAK3 (0.59) TGFBR1JAK3JAK2JAK1FGFR1
SCHEMBL31071097 0.84 TGFBR1 (0.46) TGFBR1JAK3JAK2SRCEGFR

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
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed