SCHEMBL30736455

SCHEMBL30736455

CCOC(=O)c1cnc(Cl)nc1N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.47
NPSR1 Q6W5P4 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
NR2F2 P24468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21591923 1.00 SYK (0.47) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL21591880 0.92 SYK (0.47) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL30736356 0.92 SYK (0.47) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL21591870 0.88 MEN1 (0.42) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21591869 0.88 MEN1 (0.42) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21593641 0.88 MEN1 (0.42) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21593692 0.88 SYK (0.49) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL30736359 0.88 SYK (0.49) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL21593645 0.88 SYK (0.49) SYKNPSR1MEN1KMT2AALDH1A1
SCHEMBL30736383 0.88 SYK (0.49) SYKNPSR1MEN1KMT2AALDH1A1

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
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed