SCHEMBL19687411

SCHEMBL19687411

CNNc1nc(NC2CCC(F)(F)CC2)cc(-n2cccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.39
IDH2 P48735 3/20 0.39
ADORA2A P29274 5/20 0.35
MAPK8 P45983 1/20 0.34
ADORA1 P30542 1/20 0.32
PDE4A P27815 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL19686576 0.77 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL19686523 0.76 IDH1 (0.44) IDH1IDH2
SCHEMBL31127141 0.73 IDH1 (0.46) IDH1IDH2ADORA2AMAPK8ADORA1
SCHEMBL21144238 0.73 IDH1 (0.46) IDH1IDH2ADORA2AMAPK8ADORA1
SCHEMBL19687150 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19687174 0.73 IDH1 (0.39) IDH1IDH2
SCHEMBL19687117 0.72 LMNA (0.49) IDH1IDH2ADORA2AADORA1PDE4A
SCHEMBL19687152 0.71 IDH1 (0.38) IDH1IDH2
SCHEMBL19687151 0.71 IDH1 (0.38) IDH1IDH2
SCHEMBL19686270 0.71 ADORA2A (0.41) IDH1IDH2ADORA2AMAPK8

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed