SCHEMBL24942829

SCHEMBL24942829

O=C(c1cnc2c(ccn2-c2cc(Cl)cc(-c3nnc[nH]3)c2)c1)N1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
MGLL Q99685 1/20 0.40
DDR1 Q08345 4/20 0.35
LRRK2 Q5S007 1/20 0.33
ROCK2 O75116 2/20 0.33
VNN1 O95497 1/20 0.33
ROCK1 Q13464 1/20 0.32
GPR183 P32249 2/20 0.32
ADRA1A P35348 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
SCHEMBL24942273 0.92 HPGD (0.51) HPGDMGLLVNN1
SCHEMBL24942832 0.92 HPGD (0.44) HPGDMGLLDDR1ROCK2VNN1
SCHEMBL24942579 0.91 HPGD (0.44) HPGDMGLLDDR1ROCK2VNN1
SCHEMBL24942872 0.90 HPGD (0.49) HPGDMGLLDDR1LRRK2ROCK2
SCHEMBL24942276 0.90 HPGD (0.43) HPGDMGLLDDR1
SCHEMBL24942580 0.90 HPGD (0.53) HPGDMGLLDDR1LRRK2ROCK2
SCHEMBL30201664 0.89 HPGD (0.53) HPGDMGLLDDR1
SCHEMBL24942912 0.89 HPGD (0.53) HPGDMGLLDDR1
SCHEMBL24942254 0.89 HPGD (0.52) HPGDMGLL
SCHEMBL24942634 0.89 HPGD (0.42) HPGDMGLLDDR1LRRK2

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-2023009642-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2023-02-02 WO disclosed