SCHEMBL24802479

SCHEMBL24802479

CCOc1cccnc1-n1nccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
P2RX7 Q99572 3/20 0.39
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
PDK2 Q15119 1/20 0.34
PDE5A O76074 1/20 0.33
HCRTR1 O43613 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
SCHEMBL30942665 0.77 KDM4E (0.43) P2RX7KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL16321386 0.75 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL30987262 0.75 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL27171657 0.73 MAPT (0.53) P2RX7KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL30713095 0.73 MAPT (0.53) P2RX7KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL4886359 0.70 KDM4E (0.40) KDM4EL3MBTL1HPGDALDH1A1MEN1
SCHEMBL15710183 0.69 CYP1A2 (0.50) KDM4EL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL2051437 0.68 NR3C2 (0.41) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL24306108 0.67 GRM5 (0.47) GRM5L3MBTL1HPGDALDH1A1POLB
SCHEMBL4882320 0.66 OXTR (0.49) KDM4EPOLB

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-2022270976-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed