SCHEMBL19686563

SCHEMBL19686563

FC(F)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CCNC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.39
IDH2 P48735 2/20 0.34
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL19687438 0.85 IDH1 (0.40) IDH1IDH2
Hydrochloric Acid SCHEMBL21143718 0.84 IDH1 (0.39) IDH1IDH2
Hydrochloric Acid SCHEMBL31127043 0.84 IDH1 (0.39) IDH1IDH2
SCHEMBL21166022 0.83 IDH1 (0.38) IDH1IDH2
SCHEMBL19686905 0.82 IDH1 (0.37) IDH1IDH2
SCHEMBL19686539 0.81 IDH1 (0.42) IDH1IDH2
SCHEMBL19686904 0.81 IDH1 (0.41) IDH1IDH2
SCHEMBL19686908 0.80 IDH1 (0.38) IDH1IDH2
SCHEMBL19686562 0.80 IDH1 (0.36) IDH1IDH2
SCHEMBL19686830 0.80 IDH1 (0.41) IDH1IDH2CCNT1CCNA2CDK2

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