SCHEMBL30204271

SCHEMBL30204271

COC(=O)c1ccc2c(cnn2-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
IRAK4 Q9NWZ3 3/20 0.47
NR3C1 P04150 1/20 0.46
FFAR4 Q5NUL3 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44
FGFR1 P11362 1/20 0.44
PDE10A Q9Y233 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL30204361 0.85 ALKBH2 (0.51) POLBIRAK4NR3C1FFAR4KDM4E
SCHEMBL30040685 0.84 IRAK4 (0.48) POLBIRAK4NR3C1FFAR4NPC1
SCHEMBL3973189 0.79 POLB (0.55) ALOX15HTTCYP11B1CYP11B2POLB
SCHEMBL31556376 0.79 POLB (0.55) ALOX15HTTCYP11B1CYP11B2POLB
SCHEMBL23535745 0.79 CYP11B1 (0.60) ALOX15HTTCYP11B1CYP11B2NR3C1
SCHEMBL20373135 0.77 CYP11B1 (0.47) ALOX15HTTCYP11B1CYP11B2GAA
SCHEMBL24976359 0.77 CYP11B1 (0.47) ALOX15HTTCYP11B1CYP11B2TSHR
SCHEMBL348090 0.76 CYP11B1 (0.57) CYP11B1CYP11B2NR3C1RAB9AKDM4E
SCHEMBL1363389 0.75 CYP11B1 (0.69) CYP11B1CYP11B2NR3C1
SCHEMBL31632962 0.75 CYP11B2 (0.65) CYP11B1CYP11B2NPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337662-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS Bridge Medicines (US) 2024-03-20 EP disclosed
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed