SCHEMBL28656740

SCHEMBL28656740

CC(C)C1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.78

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
SCHEMBL28656739 1.00 IDH1 (0.78) IDH1
SCHEMBL19700940 1.00 IDH1 (0.78) IDH1
SCHEMBL19700762 0.95 IDH1 (0.78) IDH1
SCHEMBL19700764 0.94 IDH1 (0.80) IDH1
SCHEMBL21378547 0.90 IDH1 (0.84) IDH1
SCHEMBL21378546 0.90 IDH1 (0.84) IDH1
SCHEMBL21378544 0.90 IDH1 (0.84) IDH1
SCHEMBL21378548 0.88 IDH1 (0.81) IDH1
SCHEMBL19700742 0.88 IDH1 (0.81) IDH1
SCHEMBL21378549 0.88 IDH1 (0.81) IDH1

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-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 — — CN disclosed
Send feedback