SCHEMBL29040306

SCHEMBL29040306

CC(C)(C)OC(=O)N1CC[C@H](n2ccc(C#N)c2C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.44
EGFR P00533 2/20 0.44
BTK Q06187 1/20 0.44
GPR119 Q8TDV5 8/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 3/20 0.40
RET P07949 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40

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
SCHEMBL29040308 1.00 SRC (0.44) SRCEGFRBTKGPR119MEN1
SCHEMBL24313085 0.87 BTK (0.56) SRCEGFRBTKGPR119MEN1
SCHEMBL18904876 0.87 BTK (0.56) SRCEGFRBTKGPR119MEN1
SCHEMBL17426129 0.81 BTK (0.51) BTKGPR119MEN1ALDH1A1MAPT
SCHEMBL29040309 0.79 BTK (0.48) SRCEGFRBTKGPR119MEN1
SCHEMBL28541403 0.79 BTK (0.48) SRCEGFRBTKGPR119MEN1
SCHEMBL29040307 0.79 BTK (0.48) SRCEGFRBTKGPR119MEN1
SCHEMBL28541404 0.79 BTK (0.48) SRCEGFRBTKGPR119MEN1
SCHEMBL22822832 0.74 SRC (0.47) SRCEGFRBTKGPR119USP30
SCHEMBL22822757 0.74 SRC (0.47) SRCEGFRBTKGPR119USP30

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