SCHEMBL29771040

SCHEMBL29771040

O=C(O)c1cnc(Cl)nc1N[C@H]1CCCOC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ KMT2A Q03164 1/20 0.44
▸ BTK Q06187 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ SYK P43405 4/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ HCAR3 P49019 2/20 0.36
▸ CD38 P28907 1/20 0.36
▸ KAT2B Q92831 1/20 0.36

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
SCHEMBL20299409 1.00 MAPK8 (0.51) MAPK8MAPK9KMT2ABTKJAK2
SCHEMBL29771165 1.00 MAPK8 (0.51) MAPK8MAPK9KMT2ABTKJAK2
SCHEMBL20330486 1.00 MAPK8 (0.51) MAPK8MAPK9KMT2ABTKJAK2
SCHEMBL20299315 1.00 MAPK8 (0.51) MAPK8MAPK9KMT2ABTKJAK2
SCHEMBL29501906 1.00 MAPK8 (0.51) MAPK8MAPK9KMT2ABTKJAK2
SCHEMBL29501867 0.93 MAPK8 (0.43) MAPK8MAPK9KMT2ABTKMAPK1
SCHEMBL21593678 0.93 MAPK8 (0.43) MAPK8MAPK9KMT2ABTKMAPK1
SCHEMBL21591892 0.93 MAPK8 (0.43) MAPK8MAPK9KMT2ABTKMAPK1
SCHEMBL20299476 0.93 MAPK8 (0.43) MAPK8MAPK9KMT2ABTKMAPK1
Fluoride SCHEMBL13518132 0.87 KMT2A (0.57) MAPK8KMT2AJAK2SYKAXL

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-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
CN-110177791-B Amino-triazolopyridine compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-07-12 — — CN disclosed
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