SCHEMBL21210094

SCHEMBL21210094

FC(F)c1cn2c(-c3nccc(N4CCCNCC4)n3)cnc2cn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 18/20 0.50
IRAK4 Q9NWZ3 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL21210219 0.90 EIF2AK4 (0.56) EIF2AK4
SCHEMBL21209210 0.89 EIF2AK4 (0.55) EIF2AK4
SCHEMBL21209200 0.89 EIF2AK4 (0.55) EIF2AK4
SCHEMBL21209911 0.88 IRAK4 (0.49) EIF2AK4IRAK4CYP1A2CYP2C9
SCHEMBL21209470 0.84 EIF2AK4 (0.71) EIF2AK4
SCHEMBL21209209 0.84 EIF2AK4 (0.54) EIF2AK4CYP1A2
SCHEMBL21217128 0.83 EIF2AK4 (0.70) EIF2AK4
SCHEMBL21209521 0.83 EIF2AK4 (0.53) EIF2AK4
SCHEMBL21208913 0.82 EIF2AK4 (0.58) EIF2AK4
SCHEMBL21210207 0.81 EIF2AK4 (0.54) EIF2AK4

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