SCHEMBL29040307

SCHEMBL29040307

CC(C)(C)OC(=O)N1CC[C@H](n2cc(I)c(C#N)c2C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
SRC P12931 5/20 0.43
EGFR P00533 3/20 0.43
GPR119 Q8TDV5 8/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 2/20 0.39
ABL2 P42684 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
USP30 Q70CQ3 2/20 0.37

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
SCHEMBL29040309 1.00 BTK (0.48) BTKSRCEGFRGPR119MEN1
SCHEMBL28541403 0.88 BTK (0.48) BTKSRCEGFRGPR119MEN1
SCHEMBL28541404 0.88 BTK (0.48) BTKSRCEGFRGPR119MEN1
SCHEMBL24313466 0.87 BTK (0.63) BTKSRCEGFRGPR119MEN1
SCHEMBL24313086 0.82 BTK (0.46) BTKSRCEGFRGPR119MEN1
SCHEMBL29040306 0.79 SRC (0.44) BTKSRCEGFRGPR119MEN1
SCHEMBL29040308 0.79 SRC (0.44) BTKSRCEGFRGPR119MEN1
SCHEMBL23567188 0.76 BTK (0.82) BTKSRCEGFRGPR119ABL1
SCHEMBL21482522 0.76 BTK (0.82) BTKSRCEGFRGPR119ABL1
SCHEMBL17426108 0.75 BTK (0.63) BTKSRCEGFRGPR119MEN1

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
CN-116096720-A Dihydropyrrolo [2,3-d ] pyridazin-7-one derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-05-09 CN disclosed