SCHEMBL30736504

SCHEMBL30736504

CCOC(=O)c1cnc(Cl)nc1NC1(C)CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.46
▸ MAPT P10636 4/20 0.41
▸ NR2F2 P24468 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ PPP1CA P62136 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK3 P52333 4/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40

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
SCHEMBL20329968 1.00 SYK (0.46) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL20330481 0.84 MAPK8 (0.37) KMT2ANFKB1NFKB2RELAJUN
SCHEMBL30736374 0.81 NR2F2 (0.53) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL20299341 0.81 NR2F2 (0.53) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL20329838 0.81 NR2F2 (0.53) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL23452672 0.81 NR2F2 (0.53) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL31612079 0.80 SYK (0.49) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL24852041 0.80 SYK (0.49) SYKMAPTNR2F2NPSR1KDM4E
SCHEMBL21593637 0.79 KMT2A (0.34) KMT2A
SCHEMBL23452637 0.78 NR2F2 (0.50) SYKMAPTNR2F2NPSR1KDM4E

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
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