SCHEMBL19686814

SCHEMBL19686814

C/C=N/Nc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.44
IDH2 P48735 4/20 0.43
CCNT1 O60563 1/20 0.35
MAPK3 P27361 1/20 0.34
ROCK2 O75116 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
SCHEMBL19686523 0.80 IDH1 (0.44) IDH1IDH2CCNT1
SCHEMBL19686796 0.76 IDH1 (0.45) IDH1IDH2CCNT1
SCHEMBL19687512 0.74 IDH1 (0.59) IDH1IDH2
SCHEMBL21144001 0.74 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL31127376 0.74 IDH1 (0.50) IDH1IDH2CCNT1
SCHEMBL21143615 0.74 IDH1 (0.43) IDH1IDH2CCNT1
SCHEMBL31127242 0.74 IDH1 (0.43) IDH1IDH2CCNT1
SCHEMBL21166254 0.72 IDH1 (0.43) IDH1IDH2CCNT1
SCHEMBL21143786 0.72 IDH1 (0.46) IDH1IDH2CCNT1
SCHEMBL31127234 0.72 IDH1 (0.46) IDH1IDH2CCNT1

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