SCHEMBL22103149

SCHEMBL22103149

COC(=O)c1cnc2ccc(/C(NN)=C(/N)c3ccccc3F)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 4/20 0.40
PSMD14 O00487 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.36
CSF1R P07333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
PYGL P06737 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL22102873 0.88 CSF1R (0.37) L3MBTL1PSMD14POLBMAPTMAPK1
SCHEMBL22075152 0.70 PSMD14 (0.40) ALDH1A1L3MBTL1KMT2APSMD14HPGD
SCHEMBL28647317 0.68 PSMD14 (0.49) ALDH1A1L3MBTL1KMT2APSMD14MEN1
SCHEMBL3860359 0.67 KDM4E (0.51) ALDH1A1L3MBTL1KMT2APSMD14MEN1
SCHEMBL22074907 0.67 PSMD14 (0.48) ALDH1A1L3MBTL1KMT2APSMD14MEN1
SCHEMBL26009759 0.67 PSMD14 (0.48) ALDH1A1L3MBTL1KMT2APSMD14MEN1
SCHEMBL22074963 0.67 PSMD14 (0.48) ALDH1A1L3MBTL1PSMD14POLBMAPT
SCHEMBL31606412 0.66 PSMD14 (0.47) ALDH1A1L3MBTL1KMT2APSMD14MAPT
SCHEMBL22074944 0.65 NPC1 (0.38) PSMD14MAPTHPGDALOX15HTT
SCHEMBL2031896 0.65 ALOX15 (0.65) ALDH1A1L3MBTL1KMT2APSMD14HPGD

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-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed