SCHEMBL28728560

SCHEMBL28728560

COc1ncc(-c2cc(Cl)c3cnn(C)c3n2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CYP1A2 P05177 1/20 0.36
METAP2 P50579 1/20 0.36
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDE2A O00408 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL29467455 1.00 KMT2A (0.41) KMT2AMEN1QPCTQPCTLCYP1A2
SCHEMBL29467466 0.76 MEN1 (0.34) KMT2AMEN1QPCTQPCTLCYP1A2
SCHEMBL28728600 0.76 MEN1 (0.34) KMT2AMEN1QPCTQPCTLCYP1A2
SCHEMBL561513 0.72 GRM2 (0.43) MTORPIK3CABCDIN3D
SCHEMBL22869317 0.71 QPCT (0.40) QPCTQPCTLCYP1A2METAP2MTOR
SCHEMBL29565225 0.71 QPCT (0.40) QPCTQPCTLCYP1A2METAP2MTOR
SCHEMBL560718 0.71 ACVR2A (0.43)
SCHEMBL30701718 0.70 QPCT (0.41) QPCTQPCTLCYP1A2METAP2MTOR
SCHEMBL27191340 0.70 QPCT (0.41) QPCTQPCTLCYP1A2METAP2HSD11B1
SCHEMBL27191366 0.70 QPCT (0.41) QPCTQPCTLCYP1A2METAP2MTOR

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
CN-114315839-A Pyrimidinedione compounds and use thereof 武汉人福创新药物研发中心有限公司 2022-04-12 CN disclosed
WO-2022068929-A1 PYRIMIDINEDIONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-04-07 WO disclosed