SCHEMBL22184656

SCHEMBL22184656

O=C(C1CCCC1)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.98
NR1I2 O75469 1/20 0.87

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
SCHEMBL17814433 0.99 IDH1 (1.00) IDH1NR1I2
SCHEMBL22184970 0.94 IDH1 (0.97) IDH1NR1I2
SCHEMBL17802995 0.94 IDH1 (0.87) IDH1NR1I2
SCHEMBL22184697 0.93 IDH1 (0.85) IDH1NR1I2
SCHEMBL17807001 0.93 IDH1 (1.00) IDH1NR1I2
SCHEMBL22184788 0.93 IDH1 (0.84) IDH1NR1I2
SCHEMBL17803000 0.92 IDH1 (0.89) IDH1NR1I2
SCHEMBL19741810 0.92 IDH1 (1.00) IDH1NR1I2
SCHEMBL21466759 0.92 IDH1 (0.84) IDH1NR1I2
SCHEMBL22184650 0.92 IDH1 (0.84) IDH1NR1I2

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