SCHEMBL29520451

SCHEMBL29520451

CN1C(=O)c2cc(Br)cnc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL29520263 0.80 RAF1 (0.33)
SCHEMBL26713925 0.73 HSD17B10 (0.40) HSD17B10RXFP1AURKADAPK3JAK2
SCHEMBL29520473 0.69 ESR1 (0.32) HTT
SCHEMBL22188020 0.69 MEN1 (0.38) HSD17B10KMT2AHTTMEN1ABL1
SCHEMBL29520155 0.69 MEN1 (0.38) HSD17B10KMT2AHTTMEN1ABL1
SCHEMBL19049757 0.69 MEN1 (0.43) KMT2AMEN1PIM1APP
SCHEMBL25746071 0.68 TP53 (0.35) KMT2AMEN1
SCHEMBL19297674 0.67 HSD17B10 (0.43) HSD17B10RXFP1KMT2AHTTMEN1
SCHEMBL16427468 0.67 HSD17B10 (0.40) HSD17B10RXFP1KMT2AHTTMEN1
SCHEMBL31559942 0.67 CYP1B1 (0.34) KMT2AMEN1

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-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed