SCHEMBL21209899

SCHEMBL21209899

Cc1ncc(C(C)(F)F)s1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
MLYCD O95822 1/20 0.33

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
SCHEMBL12058917 0.84 HCAR2 (0.39) HCAR2MLYCD
SCHEMBL5121295 0.81 HCAR2 (0.40) HCAR2
SCHEMBL16996968 0.80 HCAR2 (0.36) HCAR2MLYCD
SCHEMBL8447951 0.80 HCAR2 (0.36) HCAR2MLYCD
SCHEMBL21610747 0.80 HCAR2 (0.36) HCAR2MLYCD
SCHEMBL21389734 0.79 HCAR2 (0.39) HCAR2
SCHEMBL24959222 0.77
SCHEMBL13886980 0.77 HCAR2 (0.42) HCAR2MLYCD
SCHEMBL26859996 0.77 HCAR2 (0.34) HCAR2MLYCD
SCHEMBL26858665 0.77 HCAR2 (0.34) HCAR2MLYCD

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
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed