SCHEMBL19700709

SCHEMBL19700709

O=C1OCCN1c1ccnc(NCc2ccc(C(CC3CC3)N3CCNCC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 19/20 0.46
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL22201749 0.89 IDH1 (0.58) IDH1HRH4
SCHEMBL19700750 0.86 IDH1 (0.66) IDH1
SCHEMBL19700759 0.83 IDH1 (0.51) IDH1
SCHEMBL19700706 0.80 IDH1 (0.54) IDH1HRH4
SCHEMBL19700777 0.77 IDH1 (0.75) IDH1
SCHEMBL21378380 0.77 IDH1 (0.75) IDH1
SCHEMBL19191699 0.75 IDH1 (0.59) IDH1HRH4
SCHEMBL22201753 0.74 IDH1 (0.81) IDH1
SCHEMBL20289880 0.74 IDH1 (0.61) IDH1
SCHEMBL21399895 0.74 IDH1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — WO disclosed
Send feedback