SCHEMBL29907194

SCHEMBL29907194

COc1cc2c(cnn2C(=O)OC(C)(C)C)nc1-c1cccc2c1CC(O)C2.COc1cc2c(cnn2C(=O)OC(C)(C)C)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
SHMT2 P34897 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ELANE P08246 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
NR1H2 P55055 1/20 0.31
SUV39H2 Q9H5I1 3/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 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
SCHEMBL23236616 0.95 ELANE (0.34) PGK1NPC1RAB9AELANEMEN1
SCHEMBL30294194 0.95 ELANE (0.34) PGK1NPC1RAB9AELANEMEN1
SCHEMBL29907184 0.88 EHMT2 (0.34) PGK1NPC1RAB9AGAASHMT2
SCHEMBL23211031 0.84 NPC1 (0.37) NPC1RAB9AGAASHMT2CASP3
SCHEMBL30294191 0.82 EHMT2 (0.37) NPC1RAB9AGAAELANEMEN1
SCHEMBL23211124 0.82 EHMT2 (0.37) NPC1RAB9AGAAELANEMEN1
SCHEMBL23210861 0.81 SHMT2 (0.38) PGK1NPC1RAB9AGAASHMT2
SCHEMBL29907085 0.81 SHMT2 (0.38) PGK1NPC1RAB9AGAASHMT2
SCHEMBL23236625 0.78 SUV39H2 (0.32) NPC1RAB9ANR1H2SUV39H2MERTK
SCHEMBL29907131 0.78 SUV39H2 (0.32) NPC1RAB9ANR1H2SUV39H2MERTK

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
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed