SCHEMBL22185403

SCHEMBL22185403

COC1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CCN(C5(C(F)(F)F)CC5)CC4)cc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 1.00

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
SCHEMBL17814637 1.00 IDH1 (1.00) IDH1
SCHEMBL19741834 1.00 IDH1 (1.00) IDH1
SCHEMBL22185411 0.90 IDH1 (0.82) IDH1
SCHEMBL17814380 0.88 IDH1 (1.00) IDH1
SCHEMBL22184819 0.88 IDH1 (1.00) IDH1
SCHEMBL19742060 0.88 IDH1 (1.00) IDH1
SCHEMBL19742042 0.88 IDH1 (1.00) IDH1
SCHEMBL17814636 0.88 IDH1 (0.77) IDH1
SCHEMBL19741854 0.88 IDH1 (1.00) IDH1
SCHEMBL19742054 0.88 IDH1 (1.00) 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
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed