SCHEMBL19686537

SCHEMBL19686537

Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C3)N4C(=O)OC(C)(C)C)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.39
IDH2 P48735 1/20 0.38
SYK P43405 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
JAK1 P23458 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TPH1 P17752 3/20 0.31
HDAC1 Q13547 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19686538 0.87 IDH1 (0.38) IDH1IDH2SYKTPH1
SCHEMBL31127133 0.87 IDH1 (0.38) IDH1IDH2SYKTPH1
SCHEMBL21144161 0.82 IDH1 (0.40) IDH1IDH2TPH1
SCHEMBL31127074 0.81 IDH1 (0.41) IDH1IDH2SYKGPR119DDB1
SCHEMBL19687490 0.81 IDH1 (0.41) IDH1IDH2SYKGPR119DDB1
SCHEMBL21143643 0.80 IDH1 (0.48) IDH1IDH2SYKGPR119DDB1
SCHEMBL19686290 0.80 IDH1 (0.42) IDH1IDH2
SCHEMBL19686817 0.80 IDH1 (0.45) IDH1IDH2
SCHEMBL19686816 0.79 IDH1 (0.43) IDH1IDH2
SCHEMBL24061661 0.78 CHRM3 (0.46) IDH1IDH2MAPT

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