SCHEMBL21836153

SCHEMBL21836153

CC1(C(=O)O)CCC(NC(=O)c2cccn3c(=O)c4cc(-c5ccc(F)c(F)c5)ccc4nc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 15/20 0.53
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL21836168 0.93 POLR1A (0.54) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836155 0.92 POLR1A (0.59) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836145 0.89 POLR1A (0.54) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836152 0.87 POLR1A (0.53) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21798881 0.86 POLR1A (0.54) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21798883 0.86 POLR1A (0.54) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836158 0.83 POLR1A (0.55) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836131 0.81 POLR1A (0.54) POLR1AKMT2AALDH1A1MEN1KCNH2
SCHEMBL21836086 0.80 POLR1A (0.57) POLR1AKMT2AALDH1A1MEN1
SCHEMBL21836100 0.79 POLR1A (0.62) POLR1AKMT2AALDH1A1MEN1KCNH2

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