SCHEMBL21836152

SCHEMBL21836152

COC(=O)[C@H]1CC[C@@H](NC(=O)c2cccn3c(=O)c4cc(-c5ccc(F)c(F)c5)ccc4nc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 14/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.46
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL21836167 0.93 POLR1A (0.54) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21836154 0.92 POLR1A (0.59) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798881 0.92 POLR1A (0.54) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798883 0.92 POLR1A (0.54) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21836144 0.89 POLR1A (0.54) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798975 0.89 POLR1A (0.57) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798956 0.89 POLR1A (0.53) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798955 0.89 POLR1A (0.53) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21798949 0.87 KMT2A (0.59) POLR1AKMT2AMEN1ALDH1A1NPSR1
SCHEMBL21836153 0.87 POLR1A (0.53) POLR1AKMT2AMEN1ALDH1A1NPSR1

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-3632913-A1 CARBOXYLIC ACID DERIVATIVES OF PYRIDOQUINAZOLINES USEFUL AS PROTEIN KINASE INHIBITORS Oncostellae, S.L. (ES) 2020-04-08 EP disclosed